==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-NOV-06 2NUA . COMPND 2 MOLECULE: SUCCINYL-COA LIGASE [ADP-FORMING] SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.E.FRASER . 1347 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 997 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 2 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 . 108 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.9 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 2 0 2 6 1 13 8 6 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 4 4 8 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 PARALLEL BRIDGES PER LADDER . 2 6 2 9 5 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 2 0 2 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 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 S 0 0 32 0, 0.0 2,-0.2 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 164.2 48.7 79.7 61.4 2 2 A I + 0 0 14 195,-0.1 2,-3.1 197,-0.1 172,-0.1 -0.766 360.0 6.9-124.2 170.3 48.8 76.2 59.9 3 3 A L S S+ 0 0 43 -2,-0.2 2,-0.3 170,-0.1 125,-0.0 -0.224 117.5 20.5 60.1 -58.3 46.7 74.0 57.5 4 4 A I + 0 0 3 -2,-3.1 2,-0.3 128,-0.1 128,-0.1 -0.823 57.1 162.3-135.6 175.6 44.3 76.7 56.2 5 5 A D > - 0 0 51 -2,-0.3 3,-1.1 126,-0.1 128,-0.1 -0.953 59.2 -58.1-170.3-174.2 43.8 80.4 55.8 6 6 A K T 3 S+ 0 0 126 -2,-0.3 27,-0.2 1,-0.3 127,-0.1 0.751 129.3 50.3 -52.0 -30.8 41.8 83.1 54.0 7 7 A N T 3 S+ 0 0 92 2,-0.1 -1,-0.3 25,-0.1 -3,-0.0 0.743 78.4 114.8 -83.3 -25.8 43.0 81.9 50.7 8 8 A T < - 0 0 20 -3,-1.1 25,-0.7 1,-0.1 2,-0.5 -0.245 55.8-151.1 -50.7 121.0 42.1 78.2 51.1 9 9 A K E -a 33 0A 84 55,-0.2 57,-1.8 23,-0.1 58,-1.8 -0.875 17.2-162.6 -99.3 127.9 39.4 77.3 48.6 10 10 A V E -ab 34 67A 0 23,-3.1 25,-2.3 -2,-0.5 26,-0.8 -0.896 17.2-166.6-120.3 140.6 37.2 74.5 49.8 11 11 A I E -ab 36 68A 0 56,-2.1 58,-2.2 -2,-0.4 2,-0.5 -0.897 20.5-136.0-116.6 151.5 34.7 72.0 48.3 12 12 A C E > -ab 37 69A 0 24,-1.8 26,-2.7 -2,-0.3 3,-0.7 -0.937 5.6-152.3-116.2 122.5 32.3 70.0 50.3 13 13 A Q E 3 S+ab 38 70A 4 56,-2.8 58,-2.5 -2,-0.5 26,-0.2 -0.793 91.9 24.6 -89.1 127.8 31.6 66.2 49.7 14 14 A G T > S+ 0 0 16 24,-2.6 3,-1.1 -2,-0.5 6,-0.4 0.815 83.8 156.2 82.0 34.8 28.1 65.3 50.8 15 15 A F T < + 0 0 0 23,-0.9 9,-0.1 -3,-0.7 24,-0.1 0.771 62.3 52.3 -65.1 -33.7 27.2 68.9 50.3 16 16 A T T 3 S+ 0 0 26 22,-0.2 -1,-0.2 4,-0.1 2,-0.1 0.237 90.8 99.7 -93.6 14.3 23.5 68.4 49.8 17 17 A G S <> S- 0 0 20 -3,-1.1 4,-2.7 1,-0.1 5,-0.3 -0.464 90.2 -97.2 -93.4 170.4 23.0 66.4 53.0 18 18 A S H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.955 122.3 32.3 -48.7 -64.6 21.7 67.8 56.2 19 19 A Q H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.812 116.7 55.0 -66.5 -35.7 25.0 68.3 57.9 20 20 A G H > S+ 0 0 1 -6,-0.4 4,-1.4 51,-0.3 -1,-0.2 0.912 115.2 42.4 -64.3 -39.5 26.9 69.2 54.7 21 21 A T H X S+ 0 0 28 -4,-2.7 4,-2.1 -7,-0.2 -2,-0.2 0.981 113.9 48.1 -68.3 -60.4 24.3 71.9 54.1 22 22 A F H X S+ 0 0 95 -4,-2.9 4,-1.3 -5,-0.3 -2,-0.2 0.895 119.3 38.1 -48.7 -51.1 24.0 73.3 57.6 23 23 A H H X S+ 0 0 26 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.771 108.0 61.5 -77.0 -25.7 27.7 73.6 58.2 24 24 A S H X S+ 0 0 3 -4,-1.4 4,-2.5 -5,-0.3 -1,-0.2 0.894 105.4 51.1 -66.4 -33.9 28.6 74.7 54.7 25 25 A E H X S+ 0 0 79 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.924 109.8 49.1 -64.8 -44.3 26.3 77.7 55.5 26 26 A Q H X S+ 0 0 75 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.880 113.2 45.7 -62.7 -41.1 28.2 78.3 58.7 27 27 A A H <>S+ 0 0 6 -4,-2.7 5,-2.9 2,-0.2 4,-0.3 0.889 113.3 52.0 -68.8 -37.5 31.5 78.1 56.9 28 28 A I H ><5S+ 0 0 64 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.945 109.3 48.0 -61.9 -49.6 30.1 80.4 54.2 29 29 A A H 3<5S+ 0 0 86 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.709 106.5 58.2 -65.9 -19.7 28.9 83.0 56.8 30 30 A Y T 3<5S- 0 0 60 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.535 122.5-108.4 -86.4 -5.2 32.3 82.8 58.4 31 31 A G T < 5 + 0 0 50 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.2 0.666 62.8 158.0 89.3 16.9 33.8 83.8 55.1 32 32 A T < - 0 0 9 -5,-2.9 2,-2.0 -6,-0.1 -1,-0.3 -0.560 52.4-111.9 -74.1 139.9 35.4 80.5 54.2 33 33 A K E +a 9 0A 93 -25,-0.7 -23,-3.1 -2,-0.2 2,-0.8 -0.504 42.5 177.4 -77.0 80.7 35.9 80.2 50.5 34 34 A M E +a 10 0A 17 -2,-2.0 -23,-0.2 -25,-0.2 3,-0.1 -0.763 5.4 176.6 -84.7 111.8 33.4 77.5 49.7 35 35 A V E - 0 0 29 -25,-2.3 2,-0.3 -2,-0.8 -24,-0.2 0.493 56.2 -55.0 -97.4 -3.2 33.7 77.1 45.9 36 36 A G E -a 11 0A 0 -26,-0.8 -24,-1.8 14,-0.2 -1,-0.3 -0.888 49.2-116.4 152.3 177.9 31.3 74.2 45.6 37 37 A G E -ac 12 52A 0 14,-2.1 16,-2.6 -26,-0.3 2,-0.4 -0.869 15.4-123.1-141.7 175.0 30.4 70.7 46.6 38 38 A V E +ac 13 53A 4 -26,-2.7 -24,-2.6 -2,-0.3 -23,-0.9 -0.985 28.5 157.2-130.0 131.0 30.0 67.2 45.3 39 39 A T > - 0 0 21 14,-2.8 3,-3.1 -2,-0.4 4,-0.2 -0.770 43.6-119.7-150.9 100.8 27.0 64.8 45.4 40 40 A P T 3 S+ 0 0 101 0, 0.0 14,-0.1 0, 0.0 15,-0.1 -0.102 101.4 20.0 -41.5 122.0 26.8 62.0 42.9 41 41 A G T 3 S+ 0 0 70 0, 0.0 13,-0.1 0, 0.0 14,-0.0 0.219 112.0 74.3 100.0 -14.1 23.7 62.4 40.9 42 42 A K X + 0 0 94 -3,-3.1 3,-1.6 11,-0.3 10,-0.2 0.212 60.1 132.9-115.0 13.4 23.2 66.1 41.7 43 43 A G T 3 + 0 0 24 1,-0.2 10,-0.3 -4,-0.2 3,-0.1 -0.377 63.9 39.3 -63.6 141.9 25.9 67.5 39.5 44 44 A G T 3 S+ 0 0 77 8,-2.4 -1,-0.2 1,-0.5 2,-0.2 0.276 95.9 97.6 102.2 -12.5 24.7 70.4 37.4 45 45 A T < - 0 0 71 -3,-1.6 7,-2.8 7,-0.5 -1,-0.5 -0.512 67.6-128.5-101.8 173.4 22.6 72.0 40.1 46 46 A T E -F 51 0B 109 5,-0.2 2,-0.4 -2,-0.2 3,-0.1 -0.967 21.2-172.0-125.0 144.6 23.6 74.8 42.4 47 47 A H E > S-F 50 0B 45 3,-3.0 3,-0.9 -2,-0.4 -10,-0.0 -0.999 71.0 -0.8-138.6 137.9 23.3 74.7 46.2 48 48 A L T 3 S- 0 0 52 -2,-0.4 -1,-0.1 1,-0.3 -12,-0.0 0.865 134.5 -57.0 51.1 35.0 23.7 77.5 48.8 49 49 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.866 119.2 107.5 65.3 37.5 24.5 79.5 45.7 50 50 A L E < S-F 47 0B 29 -3,-0.9 -3,-3.0 -14,-0.0 -1,-0.2 -0.986 76.3 -92.1-144.3 153.8 27.3 77.2 44.6 51 51 A P E -F 46 0B 49 0, 0.0 -14,-2.1 0, 0.0 2,-0.5 -0.443 32.8-154.4 -69.0 135.4 28.0 74.7 41.9 52 52 A V E -c 37 0A 2 -7,-2.8 -8,-2.4 -16,-0.2 -7,-0.5 -0.940 15.8-166.0-108.7 128.9 27.2 71.0 42.8 53 53 A F E -c 38 0A 25 -16,-2.6 -14,-2.8 -2,-0.5 -11,-0.3 -0.729 27.7-135.8-116.1 165.8 29.1 68.4 40.9 54 54 A N S S+ 0 0 58 -2,-0.2 2,-0.3 -16,-0.2 -1,-0.1 0.801 90.7 29.0 -85.9 -33.9 28.8 64.6 40.4 55 55 A T S > S- 0 0 48 1,-0.1 4,-1.4 -16,-0.1 -1,-0.1 -0.914 73.7-126.6-128.1 155.4 32.5 63.8 40.8 56 56 A V H > S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.917 110.4 59.2 -65.5 -41.5 35.3 65.5 42.8 57 57 A R H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 103.2 51.8 -53.8 -42.5 37.5 65.7 39.7 58 58 A E H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 112.5 46.3 -60.0 -45.1 34.8 67.8 38.0 59 59 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.5 0.920 111.9 49.2 -64.1 -47.5 34.7 70.2 40.9 60 60 A V H X S+ 0 0 29 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.939 114.7 45.4 -59.4 -45.8 38.5 70.4 41.2 61 61 A A H < S+ 0 0 92 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.3 46.0 -64.8 -36.7 38.8 71.2 37.5 62 62 A A H < S+ 0 0 64 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.743 131.0 16.7 -79.8 -24.8 36.0 73.6 37.7 63 63 A T H < S- 0 0 27 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.531 85.3-131.8-125.4 -13.7 37.0 75.5 40.8 64 64 A G < + 0 0 37 -4,-2.9 -55,-0.2 -5,-0.5 -4,-0.2 0.662 46.6 166.7 68.2 14.5 40.7 74.7 41.4 65 65 A A - 0 0 3 -6,-0.4 -55,-0.2 1,-0.1 -1,-0.2 -0.179 23.4-169.7 -58.9 156.4 39.8 74.0 45.1 66 66 A T + 0 0 75 -57,-1.8 24,-2.4 1,-0.2 25,-1.6 0.543 63.9 57.7-124.4 -17.9 42.5 72.2 47.1 67 67 A A E -bd 10 91A 1 -58,-1.8 -56,-2.1 23,-0.2 2,-0.4 -0.930 60.8-167.4-119.1 142.9 40.8 71.3 50.3 68 68 A S E -bd 11 92A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.4 -0.973 8.3-153.6-128.9 142.7 37.7 69.2 50.7 69 69 A V E -bd 12 93A 4 -58,-2.2 -56,-2.8 -2,-0.4 2,-0.5 -0.957 16.8-142.2-115.5 136.3 35.6 68.6 53.7 70 70 A I E +bd 13 94A 0 23,-2.9 25,-1.8 -2,-0.4 26,-0.8 -0.882 32.2 162.3-108.5 126.9 33.6 65.4 54.1 71 71 A Y + 0 0 29 -58,-2.5 -51,-0.3 -2,-0.5 -52,-0.2 -0.188 38.9 132.0-125.1 35.0 30.1 65.0 55.5 72 72 A V - 0 0 17 1,-0.1 5,-0.1 -53,-0.1 24,-0.1 -0.727 65.4-101.3 -91.8 136.2 29.5 61.6 53.9 73 73 A P > - 0 0 37 0, 0.0 3,-2.8 0, 0.0 4,-0.4 -0.235 37.3-106.1 -56.8 144.2 28.0 58.8 56.1 74 74 A A G >> S+ 0 0 6 23,-0.5 3,-1.6 1,-0.3 4,-0.5 0.811 114.5 68.3 -38.1 -49.9 30.6 56.2 57.3 75 75 A P G 34 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.612 112.7 32.9 -52.3 -9.2 29.5 53.5 55.0 76 76 A F G <> S+ 0 0 84 -3,-2.8 4,-1.2 2,-0.1 3,-0.2 0.393 87.4 96.5-130.2 3.9 30.8 55.6 52.1 77 77 A C H X> S+ 0 0 0 -3,-1.6 4,-3.6 -4,-0.4 3,-0.6 0.914 78.6 58.9 -64.3 -46.0 33.8 57.5 53.3 78 78 A K H 3X S+ 0 0 84 -4,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.890 110.8 47.7 -49.3 -37.3 36.6 55.2 52.1 79 79 A D H 3> S+ 0 0 118 -3,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.802 114.8 44.3 -74.3 -31.1 35.0 55.9 48.7 80 80 A S H S+ 0 0 0 -4,-2.7 5,-1.4 2,-0.2 4,-0.3 0.888 110.8 52.2 -61.1 -40.3 39.3 63.1 46.8 85 85 A I H ><5S+ 0 0 13 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.946 113.0 45.4 -60.7 -45.7 42.8 61.8 47.0 86 86 A D H 3<5S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.725 104.6 62.0 -70.7 -24.2 42.7 60.7 43.4 87 87 A A T 3<5S- 0 0 11 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.439 121.0-101.0 -82.9 0.6 41.1 64.0 42.2 88 88 A G T < 5 + 0 0 42 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.250 68.1 152.6 102.6 -15.0 44.1 66.0 43.4 89 89 A I < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 -22,-0.2 -0.203 25.2-168.2 -51.4 136.7 42.8 67.4 46.7 90 90 A K + 0 0 111 -24,-2.4 27,-2.2 1,-0.2 2,-0.4 0.596 69.5 43.9-106.3 -12.9 45.7 68.0 49.0 91 91 A L E -de 67 117A 17 -25,-1.6 -23,-2.6 25,-0.2 2,-0.4 -0.966 63.7-175.8-137.4 118.8 43.8 68.6 52.3 92 92 A I E -de 68 118A 0 25,-2.8 27,-2.6 -2,-0.4 2,-0.6 -0.949 8.0-168.5-117.2 130.8 40.9 66.5 53.5 93 93 A I E -de 69 119A 0 -25,-2.6 -23,-2.9 -2,-0.4 2,-0.8 -0.930 9.6-165.2-118.5 105.2 38.9 67.2 56.6 94 94 A T E +d 70 0A 0 25,-2.3 29,-0.7 -2,-0.6 28,-0.1 -0.805 15.5 175.4 -96.8 108.6 36.6 64.3 57.4 95 95 A I + 0 0 24 -25,-1.8 -1,-0.2 -2,-0.8 28,-0.2 0.815 44.0 119.5 -77.1 -29.2 34.0 65.2 59.9 96 96 A T - 0 0 14 -26,-0.8 26,-3.0 26,-0.2 2,-0.4 0.106 49.1-155.7 -42.9 143.7 32.4 61.8 59.6 97 97 A E + 0 0 71 24,-0.2 -23,-0.5 25,-0.1 -1,-0.1 -0.959 67.1 41.9-122.7 137.1 32.1 59.5 62.6 98 98 A G + 0 0 7 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.600 61.6 157.9 106.4 11.8 31.9 55.7 62.4 99 99 A I - 0 0 5 -3,-0.2 -1,-0.3 1,-0.1 410,-0.1 -0.517 51.8-104.5 -72.6 131.2 34.4 54.6 59.7 100 100 A P >> - 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.289 25.9-127.5 -54.1 139.0 35.4 51.0 60.0 101 101 A T H 3> S+ 0 0 21 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.823 109.5 55.6 -59.2 -36.3 39.0 50.8 61.5 102 102 A L H 3> S+ 0 0 20 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.800 104.7 55.0 -67.7 -29.0 40.2 48.6 58.7 103 103 A D H <> S+ 0 0 11 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.950 110.1 43.9 -66.8 -50.6 39.0 51.3 56.2 104 104 A M H X S+ 0 0 5 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.739 106.1 63.8 -67.3 -22.8 41.0 54.0 57.8 105 105 A L H X S+ 0 0 10 -4,-1.3 4,-1.2 -5,-0.2 -1,-0.2 0.949 110.4 37.0 -65.9 -46.6 43.9 51.6 58.0 106 106 A T H X S+ 0 0 59 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.903 116.6 52.1 -69.5 -45.5 44.1 51.4 54.2 107 107 A V H X S+ 0 0 2 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.892 104.3 57.7 -60.8 -39.0 43.2 55.1 53.7 108 108 A K H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 107.6 46.8 -60.5 -40.8 46.0 56.1 56.1 109 109 A V H X S+ 0 0 34 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.924 113.8 48.9 -65.5 -42.8 48.5 54.3 54.0 110 110 A K H X S+ 0 0 101 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.982 109.2 51.4 -58.7 -59.3 47.1 55.9 50.8 111 111 A L H <>S+ 0 0 2 -4,-3.4 5,-2.4 1,-0.2 4,-0.4 0.910 113.7 45.7 -43.1 -54.0 47.1 59.4 52.2 112 112 A D H ><5S+ 0 0 78 -4,-2.2 3,-2.3 -5,-0.2 -1,-0.2 0.975 113.0 48.2 -55.4 -60.4 50.7 59.0 53.2 113 113 A E H 3<5S+ 0 0 154 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 114.5 47.0 -48.9 -40.3 51.8 57.5 49.9 114 114 A A T 3<5S- 0 0 34 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.365 109.5-119.3 -87.8 5.2 50.0 60.2 48.0 115 115 A G T < 5 + 0 0 56 -3,-2.3 2,-0.5 -4,-0.4 -3,-0.2 0.891 64.7 144.0 59.6 39.1 51.3 63.1 50.0 116 116 A V < - 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0 0 12 -3,-0.1 2,-0.3 1,-0.1 20,-0.2 -0.493 62.4-131.6 -71.2 136.6 38.2 56.8 83.9 239 239 A P - 0 0 28 0, 0.0 12,-0.4 0, 0.0 -1,-0.1 -0.639 20.9-102.4 -93.4 149.9 38.2 53.1 84.8 240 240 A K S S+ 0 0 156 -2,-0.3 2,-0.7 1,-0.1 12,-0.2 -0.244 94.8 38.5 -59.6 152.4 40.0 50.3 83.0 241 241 A G S S+ 0 0 44 10,-0.5 -1,-0.1 1,-0.0 9,-0.0 -0.855 91.3 66.6 111.8-104.3 37.7 48.2 80.8 242 242 A K S S- 0 0 66 -2,-0.7 2,-0.5 1,-0.1 9,-0.4 -0.152 81.0-109.4 -63.4 151.8 34.9 50.1 79.0 243 243 A R - 0 0 118 7,-0.2 2,-1.4 2,-0.1 -1,-0.1 -0.701 26.0-134.8 -83.6 126.2 35.5 52.5 76.2 244 244 A M - 0 0 0 -2,-0.5 2,-2.1 1,-0.1 314,-0.1 -0.632 67.5 -56.3 -83.9 84.3 34.7 56.1 77.3 245 245 A G S S+ 0 0 16 -2,-1.4 2,-0.2 295,-0.1 -1,-0.1 -0.329 129.3 59.4 80.4 -60.6 32.7 57.5 74.4 246 246 A H S > S- 0 0 35 -2,-2.1 3,-0.8 1,-0.1 4,-0.2 -0.645 84.9-124.2 -99.1 160.1 35.4 56.8 71.8 247 247 A A G > S+ 0 0 57 1,-0.2 3,-1.1 -2,-0.2 -1,-0.1 0.876 114.6 53.6 -70.2 -37.6 36.8 53.3 70.9 248 248 A G G 3 S+ 0 0 4 1,-0.2 -1,-0.2 -38,-0.1 -3,-0.0 0.445 89.4 88.1 -75.8 2.6 40.4 54.5 71.6 249 249 A A G < + 0 0 0 -3,-0.8 -1,-0.2 -39,-0.1 2,-0.2 0.663 60.4 103.8 -76.0 -19.0 39.1 55.6 75.0 250 250 A I < - 0 0 59 -3,-1.1 2,-1.1 -4,-0.2 -39,-0.4 -0.455 65.3-140.5 -73.1 137.2 39.6 52.4 76.8 251 251 A I + 0 0 22 -12,-0.4 -10,-0.5 -9,-0.4 3,-0.3 -0.782 40.1 164.9 -97.4 91.8 42.6 52.1 79.2 252 252 A A > + 0 0 58 -2,-1.1 3,-2.6 1,-0.2 -42,-0.1 -0.550 46.3 27.8-106.4 169.8 43.8 48.5 78.6 253 253 A G T 3 S- 0 0 30 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.640 120.0 -76.7 55.4 18.5 47.0 46.5 79.3 254 254 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.696 114.4 101.8 66.0 17.3 47.6 48.6 82.4 255 255 A K < + 0 0 115 -3,-2.6 -1,-0.3 1,-0.2 -44,-0.1 -0.700 50.1 47.8-124.3 175.9 48.8 51.2 79.9 256 256 A G S S+ 0 0 4 -2,-0.2 -46,-2.4 1,-0.2 -1,-0.2 0.820 73.5 157.3 60.9 32.4 47.5 54.4 78.3 257 257 A T > - 0 0 30 -48,-0.2 4,-1.6 -3,-0.2 -1,-0.2 -0.462 54.2-116.8 -83.6 162.1 46.4 55.7 81.6 258 258 A A H > S+ 0 0 2 -23,-0.5 4,-2.6 1,-0.2 3,-0.2 0.963 115.3 49.8 -62.5 -50.5 45.9 59.4 82.1 259 259 A D H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.814 105.3 58.5 -58.2 -33.7 48.7 59.6 84.7 260 260 A E H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 110.4 42.1 -60.6 -49.4 51.1 57.7 82.5 261 261 A K H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.2 5,-0.3 0.918 110.5 56.6 -64.8 -45.7 50.7 60.4 79.8 262 262 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.946 109.1 46.6 -49.6 -56.0 50.8 63.3 82.2 263 263 A A H X S+ 0 0 50 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.946 111.7 49.9 -51.5 -57.5 54.2 62.1 83.5 264 264 A A H X S+ 0 0 31 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.863 113.3 46.8 -51.5 -42.8 55.7 61.6 80.0 265 265 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 3,-0.6 0.926 113.5 48.9 -65.7 -45.1 54.5 65.0 79.0 266 266 A E H ><5S+ 0 0 84 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.943 109.5 50.7 -59.1 -50.3 55.9 66.5 82.2 267 267 A A H 3<5S+ 0 0 72 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.687 106.3 58.6 -62.2 -17.2 59.3 64.7 81.7 268 268 A A T <<5S- 0 0 13 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.570 125.9-100.0 -89.0 -10.0 59.2 66.2 78.2 269 269 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.5 -4,-0.5 -40,-0.4 0.684 72.8 147.1 99.0 23.6 59.1 69.7 79.5 270 270 A V < - 0 0 6 -5,-2.2 2,-1.2 -8,-0.1 -1,-0.3 -0.815 52.6-124.2-100.0 130.4 55.4 70.3 79.0 271 271 A K E -l 230 0C 100 -42,-2.5 -40,-2.3 -2,-0.5 2,-0.2 -0.542 36.8-165.0 -70.2 96.5 53.4 72.5 81.3 272 272 A T E -l 231 0C 25 -2,-1.2 2,-0.4 -42,-0.2 -40,-0.2 -0.533 8.6-159.2 -85.8 152.9 50.7 70.1 82.5 273 273 A V - 0 0 11 -42,-1.8 -40,-0.4 -2,-0.2 6,-0.1 -0.999 11.6-155.3-131.8 133.1 47.5 71.2 84.2 274 274 A R S S+ 0 0 99 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 0.732 83.5 53.4 -80.4 -23.1 45.3 68.9 86.3 275 275 A S S > S- 0 0 4 1,-0.1 3,-2.1 291,-0.0 -1,-0.1 -0.961 76.6-140.1-115.7 127.7 42.1 70.9 85.9 276 276 A L G > S+ 0 0 1 -2,-0.5 3,-0.7 283,-0.3 -1,-0.1 0.632 100.1 69.0 -59.3 -10.1 40.9 71.7 82.4 277 277 A A G 3 S+ 0 0 16 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.728 90.1 59.7 -81.2 -21.3 40.0 75.1 83.8 278 278 A D G <> + 0 0 70 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.109 68.4 104.8 -95.3 22.2 43.6 76.3 84.4 279 279 A I H <> S+ 0 0 3 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.901 82.9 49.9 -67.6 -37.5 44.7 76.0 80.8 280 280 A G H > S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 3,-0.3 0.946 110.5 49.0 -63.8 -49.5 44.5 79.8 80.5 281 281 A E H > S+ 0 0 89 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.957 107.3 54.9 -53.2 -55.6 46.6 80.3 83.7 282 282 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.837 111.2 46.2 -46.9 -40.3 49.2 77.8 82.5 283 283 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.961 105.6 57.2 -68.4 -52.3 49.6 79.9 79.3 284 284 A K H < S+ 0 0 129 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.866 110.2 50.2 -45.0 -39.5 49.7 83.2 81.2 285 285 A T H < S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.999 113.4 38.4 -62.2 -72.8 52.7 81.6 83.0 286 286 A V H < 0 0 49 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.624 360.0 360.0 -57.6 -15.6 54.8 80.3 80.1 287 287 A L < 0 0 77 -4,-2.5 -85,-0.0 -5,-0.2 -3,-0.0 -0.353 360.0 360.0-105.6 360.0 53.9 83.5 78.1 288 !* 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 0.0 289 1 B M 0 0 37 0, 0.0 217,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 147.9 31.1 43.6 70.1 290 2 B N B -M 505 0D 51 215,-0.2 232,-0.5 232,-0.1 2,-0.3 -0.564 360.0-145.1 -92.5 155.7 32.3 40.4 71.6 291 3 B L - 0 0 8 213,-1.6 213,-0.4 -2,-0.2 46,-0.1 -0.865 24.7-106.3-116.0 151.4 31.4 36.9 70.6 292 4 B H > - 0 0 1 -2,-0.3 4,-2.1 228,-0.2 5,-0.2 -0.359 35.0-108.5 -71.0 158.3 31.0 33.8 72.8 293 5 B E H > S+ 0 0 9 44,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 120.9 50.3 -53.9 -45.4 33.7 31.2 72.7 294 6 B Y H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 107.4 53.6 -63.1 -38.7 31.4 28.8 70.9 295 7 B Q H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 110.0 48.6 -62.1 -38.9 30.5 31.4 68.3 296 8 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 206,-0.2 -2,-0.2 0.921 109.1 50.8 -67.2 -45.8 34.2 32.0 67.7 297 9 B K H X S+ 0 0 14 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.889 107.2 56.5 -60.7 -36.5 35.0 28.3 67.3 298 10 B Q H X S+ 0 0 70 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.959 109.8 44.2 -56.5 -53.6 32.0 28.2 64.8 299 11 B L H X S+ 0 0 5 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.938 111.8 53.3 -55.8 -48.9 33.7 30.9 62.7 300 12 B F H ><>S+ 0 0 0 -4,-3.0 5,-1.6 1,-0.2 3,-1.0 0.935 109.5 49.0 -51.9 -50.0 37.0 29.1 63.1 301 13 B A H ><5S+ 0 0 60 -4,-3.2 3,-3.7 1,-0.3 -2,-0.2 0.967 104.4 58.0 -51.7 -59.7 35.4 26.0 61.8 302 14 B R H 3<5S+ 0 0 158 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.731 109.9 46.9 -43.7 -27.9 33.9 27.8 58.9 303 15 B Y T <<5S- 0 0 48 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.159 123.1-102.5-103.9 17.4 37.5 28.8 57.9 304 16 B G T < 5S+ 0 0 41 -3,-3.7 -3,-0.2 1,-0.2 -2,-0.1 0.904 72.2 144.2 65.8 43.1 39.0 25.3 58.3 305 17 B L < - 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0 0 30 -3,-0.3 -3,-0.2 -5,-0.3 -4,-0.2 0.823 25.7-151.0 51.8 35.8 10.5 63.8 89.1 629 341 B V < - 0 0 18 -5,-0.9 -1,-0.2 -6,-0.5 4,-0.1 -0.028 13.9-166.5 -38.5 131.1 14.2 64.2 89.8 630 342 B N + 0 0 137 -3,-0.1 -1,-0.1 2,-0.1 -5,-0.0 -0.358 55.4 81.8-121.7 47.8 14.7 64.1 93.5 631 343 B V S S- 0 0 18 -7,-0.1 2,-0.5 24,-0.0 -30,-0.2 -0.989 87.2 -93.2-149.4 154.1 18.2 65.4 93.7 632 344 B P - 0 0 6 0, 0.0 -30,-1.4 0, 0.0 2,-0.4 -0.581 43.4-157.4 -71.9 123.2 20.0 68.8 93.7 633 345 B V E -ab 602 656G 0 22,-2.0 24,-2.4 -2,-0.5 2,-0.6 -0.874 10.1-165.1-105.6 133.5 21.0 69.5 90.0 634 346 B V E -ab 603 657G 0 -32,-2.5 -30,-1.2 -2,-0.4 24,-0.2 -0.884 13.4-165.9-120.2 99.0 23.8 71.9 89.2 635 347 B V E - b 0 658G 2 22,-2.0 24,-1.0 -2,-0.6 -30,-0.2 -0.373 13.8-166.7 -82.4 160.1 23.8 73.0 85.5 636 348 B R - 0 0 12 -32,-0.5 -30,-0.7 22,-0.1 2,-0.1 -0.604 15.6-171.3-147.1 78.5 26.6 74.7 83.5 637 349 B L E -c 606 0H 19 22,-0.3 2,-0.3 5,-0.2 24,-0.2 -0.424 4.9-179.8 -76.8 148.5 25.3 76.0 80.2 638 350 B E E +c 607 0H 30 -32,-1.5 -30,-1.6 -30,-0.2 2,-0.4 -0.987 39.3 25.9-151.6 138.5 27.5 77.4 77.5 639 351 B G S > S+ 0 0 13 -2,-0.3 3,-1.3 -32,-0.2 4,-0.2 -0.908 95.2 34.6 118.1-144.6 27.1 78.9 74.1 640 352 B N T 3 S- 0 0 90 -2,-0.4 -27,-0.9 1,-0.3 5,-0.1 -0.168 131.4 -23.4 -50.0 135.7 24.1 80.7 72.6 641 353 B N T 3> S+ 0 0 38 1,-0.2 4,-2.1 -28,-0.1 -1,-0.3 0.728 75.4 160.0 22.4 53.3 22.1 82.8 75.1 642 354 B A H <> S+ 0 0 8 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.645 71.7 67.3 -68.7 -12.1 23.5 80.7 78.0 643 355 B E H > S+ 0 0 143 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.990 102.7 37.1 -68.1 -66.4 22.4 83.9 79.8 644 356 B L H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.873 118.0 54.2 -55.0 -40.9 18.7 83.5 79.3 645 357 B G H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.954 104.9 51.8 -59.9 -51.2 19.1 79.8 79.7 646 358 B A H X S+ 0 0 38 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.817 112.3 49.0 -54.4 -32.5 20.8 80.2 83.1 647 359 B K H >X S+ 0 0 123 -4,-1.6 4,-2.2 2,-0.2 3,-2.2 0.947 100.6 60.1 -74.1 -50.4 17.9 82.4 84.1 648 360 B K H 3X S+ 0 0 70 -4,-2.8 4,-0.5 1,-0.3 -1,-0.2 0.806 106.3 52.5 -48.1 -28.6 15.1 80.0 83.0 649 361 B L H 3< S+ 0 0 1 -4,-1.3 4,-0.5 -5,-0.2 7,-0.3 0.713 108.0 48.8 -81.9 -22.5 16.7 77.6 85.5 650 362 B A H X< S+ 0 0 68 -3,-2.2 3,-0.5 -4,-0.5 -2,-0.2 0.906 114.6 42.7 -82.4 -44.4 16.6 80.1 88.4 651 363 B D H 3< S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.570 95.1 82.3 -77.6 -10.9 13.0 81.1 88.0 652 364 B S T 3< S- 0 0 39 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.1 0.933 86.9-144.8 -58.7 -45.5 11.9 77.5 87.4 653 365 B G < + 0 0 64 -3,-0.5 -1,-0.2 -4,-0.5 3,-0.1 -0.383 55.9 124.6 110.1 -51.2 11.8 76.9 91.1 654 366 B L S S- 0 0 58 1,-0.2 2,-4.3 -2,-0.1 -1,-0.4 0.068 86.8 -92.1 -39.5 149.2 13.0 73.3 90.9 655 367 B N S S+ 0 0 103 -3,-0.1 -22,-2.0 1,-0.1 2,-0.7 -0.222 83.0 138.2 -66.5 57.8 16.1 72.6 93.0 656 368 B I E -b 633 0G 9 -2,-4.3 -22,-0.2 -7,-0.3 -3,-0.2 -0.859 38.5-161.3-111.0 96.2 18.1 73.4 89.9 657 369 B I E -b 634 0G 52 -24,-2.4 -22,-2.0 -2,-0.7 2,-0.3 -0.329 8.1-147.2 -70.6 158.7 21.2 75.5 90.6 658 370 B A E -b 635 0G 31 -24,-0.2 -22,-0.1 -22,-0.1 -24,-0.1 -0.667 17.5-158.9-132.1 78.8 22.8 77.4 87.7 659 371 B A - 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0 0 11 -24,-1.0 2,-0.6 -2,-0.3 -22,-0.3 -0.063 13.3-132.4 -55.9 155.7 -6.6 18.2 99.4 1337 372 E K S S- 0 0 186 1,-0.1 4,-0.3 -24,-0.1 -1,-0.1 -0.885 71.5 -4.9-114.7 96.7 -7.8 14.6 98.8 1338 373 E G S > S- 0 0 31 -2,-0.6 4,-3.0 -24,-0.2 5,-0.3 0.123 80.2 -88.5 99.6 145.9 -8.7 14.2 95.2 1339 374 E L H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.959 124.1 48.0 -51.1 -64.2 -8.9 16.3 92.1 1340 375 E T H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 116.3 46.3 -45.3 -48.7 -12.5 17.5 92.5 1341 376 E D H > S+ 0 0 39 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.987 106.0 54.7 -59.3 -64.7 -11.8 18.3 96.2 1342 377 E A H X S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.761 108.0 56.2 -42.0 -30.5 -8.5 20.2 95.6 1343 378 E A H >X S+ 0 0 1 -4,-1.8 4,-2.7 -5,-0.3 3,-1.2 0.997 106.1 44.6 -65.5 -72.7 -10.5 22.3 93.2 1344 379 E Q H 3X S+ 0 0 103 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.817 114.5 52.1 -38.9 -44.0 -13.2 23.4 95.6 1345 380 E Q H 3X S+ 0 0 66 -4,-2.3 4,-3.0 2,-0.2 -1,-0.3 0.869 110.1 45.1 -67.8 -37.6 -10.7 24.1 98.3 1346 381 E V H << S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-1.2 -1,-0.2 0.865 114.5 50.6 -72.5 -34.1 -8.4 26.3 96.1 1347 382 E V H >< S+ 0 0 33 -4,-2.7 3,-0.8 -5,-0.2 -2,-0.2 0.898 113.7 46.6 -66.6 -39.2 -11.6 28.1 95.0 1348 383 E A H 3< S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.953 98.4 65.5 -67.3 -52.8 -12.5 28.5 98.6 1349 384 E A T 3< 0 0 44 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.533 360.0 360.0 -51.2 -3.1 -9.1 29.7 99.9 1350 385 E V < 0 0 69 -3,-0.8 -1,-0.3 -4,-0.2 -104,-0.1 -0.470 360.0 360.0-129.5 360.0 -9.9 32.7 97.7