==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 30-JAN-08 2ZGZ . COMPND 2 MOLECULE: PLASMID SEGREGATION PROTEIN PARM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.POPP,A.NARITA,T.ODA,T.FUJISAWA,H.MATSUO,Y.NITANAI,M.IWASA, . 640 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 14.7 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 53 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 26.1 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+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 2 0 0 2 0 2 10 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 2 0 2 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 . 6 2 2 4 0 2 4 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 . 0 0 0 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 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 96 0, 0.0 96,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.0 31.2 -2.6 -11.0 2 2 A L E -a 97 0A 30 94,-0.2 2,-0.4 15,-0.2 15,-0.3 -0.964 360.0-167.0-116.6 127.0 31.0 -1.2 -7.5 3 3 A V E -a 98 0A 0 94,-3.0 96,-1.6 -2,-0.5 2,-0.6 -0.953 13.3-143.2-119.4 133.3 27.9 -1.7 -5.4 4 4 A F E -aB 99 15A 0 11,-2.4 11,-1.7 -2,-0.4 2,-0.5 -0.829 22.9-168.9 -94.9 126.0 27.1 -0.0 -2.1 5 5 A I E - B 0 14A 0 94,-3.5 2,-1.1 -2,-0.6 96,-0.3 -0.949 24.7-173.0-126.8 117.7 25.3 -2.3 0.3 6 6 A D E - B 0 13A 11 7,-2.4 7,-2.5 -2,-0.5 2,-1.5 -0.843 21.1-167.8-101.4 89.2 23.6 -1.4 3.6 7 7 A D E + B 0 12A 0 -2,-1.1 5,-0.2 5,-0.2 2,-0.1 -0.645 12.7 177.7 -84.6 87.0 22.9 -5.0 4.5 8 8 A G - 0 0 9 3,-1.6 -2,-0.0 -2,-1.5 94,-0.0 -0.401 42.3-112.1 -84.0 167.0 20.5 -4.5 7.4 9 9 A S S S+ 0 0 24 1,-0.1 3,-0.1 -2,-0.1 21,-0.1 0.578 116.7 36.9 -77.5 -7.5 18.9 -7.4 9.3 10 10 A T S S+ 0 0 65 1,-0.4 20,-2.3 19,-0.1 2,-0.3 0.811 130.6 4.6-103.7 -58.6 15.5 -6.4 7.9 11 11 A N E - C 0 29A 37 18,-0.2 -3,-1.6 -5,-0.1 2,-0.5 -0.971 61.8-134.2-131.9 147.2 16.3 -5.3 4.3 12 12 A I E -BC 7 28A 0 16,-3.4 16,-2.4 -2,-0.3 2,-0.4 -0.859 25.8-158.3 -95.1 126.5 19.4 -5.2 2.2 13 13 A K E -BC 6 27A 24 -7,-2.5 -7,-2.4 -2,-0.5 2,-0.4 -0.913 8.9-170.8-109.1 138.3 19.7 -1.8 0.5 14 14 A L E +BC 5 26A 0 12,-3.3 12,-2.5 -2,-0.4 2,-0.3 -0.951 8.0 179.2-127.8 148.0 21.7 -1.4 -2.7 15 15 A Q E +BC 4 25A 1 -11,-1.7 -11,-2.4 -2,-0.4 2,-0.3 -0.986 14.6 143.8-148.0 137.2 22.8 1.7 -4.6 16 16 A W E - C 0 24A 6 8,-1.9 8,-3.3 -2,-0.3 2,-0.4 -0.973 38.0-120.2-163.7 163.3 24.9 2.0 -7.7 17 17 A Q E - C 0 23A 47 -15,-0.3 6,-0.2 -2,-0.3 -15,-0.2 -0.952 22.4-147.3-118.5 136.8 25.2 4.0 -10.9 18 18 A E > - 0 0 67 4,-3.0 3,-2.0 -2,-0.4 4,-0.2 -0.519 33.7 -96.5 -96.6 166.4 25.0 2.6 -14.4 19 19 A S T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.822 120.1 63.6 -49.2 -40.5 26.8 3.8 -17.6 20 20 A D T 3 S- 0 0 79 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.327 121.4-107.1 -71.9 13.6 23.8 5.9 -18.8 21 21 A G S < S+ 0 0 21 -3,-2.0 2,-0.5 1,-0.3 -2,-0.2 0.613 74.3 142.9 73.3 12.0 24.4 7.9 -15.6 22 22 A T - 0 0 10 -4,-0.2 -4,-3.0 591,-0.0 2,-0.6 -0.731 42.5-146.7 -89.3 130.5 21.3 6.5 -13.9 23 23 A I E -C 17 0A 49 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.3 -0.866 18.1-159.7 -97.9 123.2 21.7 6.0 -10.2 24 24 A K E -C 16 0A 45 -8,-3.3 -8,-1.9 -2,-0.6 2,-0.5 -0.833 11.5-163.5-109.3 142.9 19.7 3.0 -9.0 25 25 A Q E -C 15 0A 68 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.990 13.6-176.8-123.3 125.6 18.4 2.0 -5.5 26 26 A H E -C 14 0A 34 -12,-2.5 -12,-3.3 -2,-0.5 2,-0.4 -0.939 10.1-162.5-125.5 146.9 17.3 -1.5 -4.8 27 27 A I E +C 13 0A 32 -2,-0.4 -14,-0.2 -14,-0.2 -2,-0.0 -0.993 10.0 175.4-130.5 133.9 15.8 -3.1 -1.7 28 28 A S E -C 12 0A 3 -16,-2.4 -16,-3.4 -2,-0.4 57,-0.1 -0.983 26.7-120.9-141.2 127.2 15.7 -6.9 -0.9 29 29 A P E -C 11 0A 4 0, 0.0 2,-1.0 0, 0.0 -18,-0.2 -0.157 13.8-125.4 -67.2 157.3 14.4 -8.5 2.3 30 30 A N + 0 0 41 -20,-2.3 2,-0.3 -21,-0.1 48,-0.1 -0.816 62.1 131.0-100.1 85.6 16.3 -10.8 4.6 31 31 A S + 0 0 3 -2,-1.0 27,-3.0 2,-0.0 2,-0.3 -0.737 23.1 142.8-143.6 90.4 13.8 -13.7 4.6 32 32 A F E -E 57 0B 26 -2,-0.3 2,-0.3 25,-0.3 25,-0.2 -0.907 34.4-146.4-129.1 155.1 15.4 -17.1 4.0 33 33 A K E -E 56 0B 82 23,-2.3 23,-1.8 -2,-0.3 2,-1.2 -0.898 29.0-114.6-119.5 152.2 14.8 -20.6 5.2 34 34 A R S S+ 0 0 166 -2,-0.3 20,-0.3 21,-0.2 2,-0.3 -0.180 92.2 60.6 -82.5 45.8 17.5 -23.2 5.7 35 35 A E S S- 0 0 134 -2,-1.2 -2,-0.3 21,-0.1 13,-0.1 -0.965 89.2 -95.0-162.5 153.4 16.1 -25.6 3.0 36 36 A W - 0 0 85 -2,-0.3 2,-0.3 11,-0.1 20,-0.2 -0.349 38.4-120.5 -72.3 154.3 15.6 -25.4 -0.7 37 37 A A - 0 0 22 18,-0.2 2,-0.6 -4,-0.1 8,-0.1 -0.706 20.7-131.8 -93.9 148.5 12.1 -24.5 -2.0 38 38 A V - 0 0 113 -2,-0.3 2,-0.5 2,-0.0 -1,-0.0 -0.902 22.9-177.5-107.1 120.5 10.3 -27.0 -4.2 39 39 A S + 0 0 46 -2,-0.6 6,-0.1 1,-0.1 -2,-0.0 -0.960 15.8 173.2-119.7 116.6 8.8 -25.7 -7.5 40 40 A F S S+ 0 0 205 -2,-0.5 -1,-0.1 0, 0.0 2,-0.1 0.476 73.8 44.0 -94.6 -5.7 6.8 -28.1 -9.6 41 41 A G S S- 0 0 52 2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.210 106.8 -77.0-117.2-152.5 5.7 -25.3 -11.9 42 42 A D S S+ 0 0 170 -2,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.642 82.0 121.8 -88.3 -17.7 7.2 -22.2 -13.6 43 43 A K - 0 0 122 1,-0.1 2,-0.3 0, 0.0 -2,-0.2 -0.234 68.3-121.6 -48.6 124.1 7.3 -20.1 -10.4 44 44 A K - 0 0 149 2,-0.0 2,-0.3 -5,-0.0 -1,-0.1 -0.538 32.5-174.8 -76.1 134.1 11.0 -19.1 -10.0 45 45 A V - 0 0 49 -2,-0.3 2,-0.6 -8,-0.1 13,-0.1 -0.931 19.5-137.3-125.8 151.2 12.6 -20.1 -6.7 46 46 A F + 0 0 30 -2,-0.3 11,-1.6 11,-0.3 2,-0.6 -0.908 23.2 178.7-115.4 104.6 16.1 -19.3 -5.5 47 47 A N E -F 56 0B 16 -2,-0.6 86,-2.3 86,-0.4 2,-0.3 -0.923 8.9-176.4-108.9 122.3 17.9 -22.2 -3.9 48 48 A Y E -FG 55 132B 0 7,-3.3 7,-2.6 -2,-0.6 2,-0.4 -0.767 20.3-150.5-117.5 162.3 21.4 -21.6 -2.7 49 49 A T E +FG 54 131B 38 82,-1.6 82,-1.5 -2,-0.3 2,-0.4 -0.996 23.3 166.7-132.1 122.9 24.2 -23.6 -1.2 50 50 A L E > -FG 53 130B 1 3,-2.3 3,-1.8 -2,-0.4 80,-0.2 -0.969 69.1 -7.8-142.6 123.8 26.7 -21.8 1.2 51 51 A N T 3 S- 0 0 100 78,-0.8 3,-0.1 -2,-0.4 -1,-0.1 0.888 127.7 -59.5 60.8 36.9 29.2 -23.4 3.5 52 52 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.258 115.2 115.9 76.9 -14.5 27.7 -26.7 2.7 53 53 A E E < - F 0 50B 105 -3,-1.8 -3,-2.3 -18,-0.0 2,-0.4 -0.526 63.4-125.6 -88.4 155.5 24.3 -25.6 4.0 54 54 A Q E + F 0 49B 78 -20,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.834 32.4 169.4-102.6 138.1 21.1 -25.2 1.9 55 55 A Y E - F 0 48B 6 -7,-2.6 -7,-3.3 -2,-0.4 2,-0.3 -0.968 10.0-174.2-143.3 155.6 19.1 -22.0 1.8 56 56 A S E -EF 33 47B 0 -23,-1.8 -23,-2.3 -2,-0.3 2,-0.3 -0.994 35.0-102.3-151.7 147.8 16.3 -20.5 -0.2 57 57 A F E -E 32 0B 22 -11,-1.6 -11,-0.3 -2,-0.3 -25,-0.3 -0.553 39.1-163.0 -69.9 133.0 14.5 -17.2 -0.4 58 58 A D > - 0 0 21 -27,-3.0 3,-1.4 -2,-0.3 158,-0.1 -0.911 18.7-167.9-128.7 107.9 11.2 -17.4 1.4 59 59 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.564 93.6 40.0 -66.0 -11.3 8.4 -14.9 0.9 60 60 A I T 3 S+ 0 0 97 156,-0.2 3,-0.1 157,-0.1 -28,-0.1 -0.054 80.5 158.4-130.5 33.4 6.5 -16.2 3.9 61 61 A S < - 0 0 15 -3,-1.4 155,-1.7 154,-0.1 156,-0.1 -0.256 49.0-102.7 -60.7 141.6 9.3 -16.8 6.4 62 62 A P B -I 215 0C 91 0, 0.0 153,-0.3 0, 0.0 -1,-0.1 -0.408 20.3-130.1 -65.5 140.1 8.2 -16.9 10.1 63 63 A D + 0 0 64 151,-2.1 152,-0.1 -2,-0.1 -2,-0.1 0.242 68.7 130.8 -76.0 17.5 9.1 -13.7 12.0 64 64 A A + 0 0 68 150,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.248 36.9 57.4 -57.5-173.0 10.7 -16.0 14.5 65 65 A V + 0 0 105 1,-0.2 2,-0.5 4,-0.0 -1,-0.2 0.900 54.5 169.4 49.5 50.9 14.2 -15.7 16.0 66 66 A V + 0 0 130 3,-0.0 -1,-0.2 2,-0.0 3,-0.1 -0.062 50.9 94.6 -80.8 36.3 13.5 -12.2 17.4 67 67 A T S S- 0 0 99 -2,-0.5 2,-0.7 1,-0.2 3,-0.0 0.281 83.5 -4.5 -99.6-136.5 16.8 -12.7 19.2 68 68 A T + 0 0 91 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.488 52.6 164.3 -68.0 106.5 20.4 -11.7 18.4 69 69 A N + 0 0 46 -2,-0.7 4,-0.4 2,-0.1 -1,-0.2 0.311 64.0 80.7-102.5 4.9 20.6 -10.2 15.0 70 70 A I S > S+ 0 0 59 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.906 89.9 51.5 -74.7 -44.0 24.0 -8.8 15.6 71 71 A A G > S+ 0 0 52 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.737 93.3 77.9 -63.5 -21.5 25.7 -12.1 14.9 72 72 A W G > S+ 0 0 21 1,-0.3 3,-1.9 2,-0.2 6,-0.4 0.834 79.2 70.4 -56.8 -32.7 23.6 -12.1 11.7 73 73 A Q G < S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.765 107.8 33.9 -56.3 -29.2 26.2 -9.6 10.3 74 74 A Y G < S+ 0 0 15 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.161 100.6 116.9-112.2 15.4 28.8 -12.4 10.1 75 75 A S S <> S- 0 0 26 -3,-1.9 4,-1.2 -4,-0.1 5,-0.1 -0.320 74.3-119.8 -86.4 166.9 26.3 -15.2 9.3 76 76 A D H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.909 114.6 57.0 -67.2 -43.3 25.9 -17.5 6.2 77 77 A V H > S+ 0 0 14 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.838 99.8 58.8 -58.1 -35.8 22.5 -16.1 5.7 78 78 A N H > S+ 0 0 0 -6,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.932 106.5 47.9 -59.8 -45.3 23.9 -12.6 5.5 79 79 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.931 113.6 48.0 -60.3 -45.1 26.0 -13.7 2.5 80 80 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.930 109.6 52.1 -61.0 -48.5 23.0 -15.3 0.9 81 81 A A H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.873 110.8 48.2 -56.9 -40.7 20.8 -12.3 1.4 82 82 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.940 113.2 46.3 -67.5 -46.6 23.4 -10.0 -0.2 83 83 A H H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.924 113.0 50.2 -61.5 -42.2 23.8 -12.3 -3.2 84 84 A H H X S+ 0 0 5 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.870 108.7 53.5 -62.4 -36.2 20.0 -12.7 -3.5 85 85 A A H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.2 3,-0.3 0.916 108.9 48.1 -64.1 -44.1 19.8 -8.9 -3.4 86 86 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.896 109.4 54.4 -63.7 -39.5 22.3 -8.6 -6.3 87 87 A L H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 113.0 40.5 -67.7 -26.8 20.4 -11.2 -8.3 88 88 A T T 3< S+ 0 0 52 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.334 95.1 84.6-104.4 8.5 17.1 -9.4 -8.1 89 89 A S S < S- 0 0 19 -3,-0.9 -2,-0.1 -4,-0.4 -1,-0.1 0.763 99.5-116.3 -80.3 -27.4 18.6 -5.9 -8.6 90 90 A G S S+ 0 0 67 -4,-0.5 -3,-0.1 1,-0.5 3,-0.1 0.075 72.8 129.1 111.5 -23.3 18.6 -6.0 -12.4 91 91 A L - 0 0 17 -5,-0.3 -1,-0.5 1,-0.1 2,-0.2 -0.284 67.9-102.4 -61.4 151.9 22.4 -5.8 -12.7 92 92 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.555 42.7 -94.6 -78.8 142.2 23.9 -8.5 -14.9 93 93 A V S S+ 0 0 66 -2,-0.2 2,-0.3 -6,-0.1 45,-0.1 -0.318 76.6 116.4 -54.3 133.6 25.6 -11.4 -13.1 94 94 A S - 0 0 47 -3,-0.1 45,-2.5 42,-0.0 2,-0.2 -0.973 68.4 -56.8-177.1-175.2 29.3 -10.5 -12.9 95 95 A E E - d 0 139A 111 -2,-0.3 2,-0.3 43,-0.2 45,-0.2 -0.607 57.6-176.9 -81.1 147.1 32.2 -9.8 -10.7 96 96 A V E - d 0 140A 3 43,-2.9 45,-2.9 -2,-0.2 2,-0.4 -0.999 27.0-141.3-149.4 149.5 31.6 -6.9 -8.3 97 97 A D E -a 2 0A 59 -96,-3.1 -94,-3.0 -2,-0.3 2,-0.3 -0.830 31.8-170.1-103.0 147.3 33.3 -4.8 -5.7 98 98 A I E -ad 3 143A 0 44,-2.7 46,-2.2 -2,-0.4 2,-0.4 -0.929 26.8-150.7-138.8 163.0 31.2 -3.8 -2.7 99 99 A V E -ad 4 144A 0 -96,-1.6 -94,-3.5 -2,-0.3 46,-0.2 -0.992 28.9-179.0-131.1 119.9 31.2 -1.6 0.3 100 100 A C E - d 0 145A 0 44,-2.8 46,-2.5 -2,-0.4 2,-0.3 -0.532 18.2-114.1-112.2-177.4 29.1 -3.1 3.1 101 101 A T E - d 0 146A 0 -96,-0.3 -94,-0.1 44,-0.2 44,-0.0 -0.850 13.0-162.4-124.6 158.3 28.2 -1.9 6.6 102 102 A L E - d 0 147A 0 44,-1.4 46,-1.6 -2,-0.3 5,-0.1 -0.996 37.7-104.8-133.6 133.2 28.7 -2.8 10.2 103 103 A P >> - 0 0 21 0, 0.0 4,-2.8 0, 0.0 3,-1.9 -0.163 38.8-104.2 -54.2 154.1 26.6 -1.4 13.0 104 104 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 8,-0.1 0.864 119.8 49.0 -50.7 -46.0 28.2 1.3 15.1 105 105 A T H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.515 115.4 45.6 -78.3 -1.4 28.9 -0.8 18.1 106 106 A E H <4 S+ 0 0 33 -3,-1.9 -2,-0.2 3,-0.1 12,-0.2 0.761 113.8 46.2-102.2 -40.8 30.5 -3.5 15.9 107 107 A Y H < S+ 0 0 38 -4,-2.8 8,-3.5 11,-0.1 2,-0.4 0.841 120.3 41.1 -69.3 -33.7 32.6 -1.2 13.8 108 108 A Y B < S-J 114 0D 28 -4,-2.1 -1,-0.1 -5,-0.3 2,-0.1 -0.921 76.3-138.8-119.3 144.1 33.9 0.7 16.8 109 109 A D > - 0 0 54 4,-2.4 3,-2.5 -2,-0.4 4,-0.2 -0.239 50.0 -79.6 -85.8-177.6 34.9 -0.6 20.2 110 110 A R T 3 S+ 0 0 230 1,-0.3 81,-0.1 2,-0.1 -1,-0.1 0.547 132.0 60.5 -64.4 -3.5 34.0 1.2 23.5 111 111 A N T 3 S- 0 0 109 2,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.319 116.5-113.7-102.0 5.7 36.8 3.7 22.8 112 112 A N S < S+ 0 0 51 -3,-2.5 76,-0.2 1,-0.3 -2,-0.1 0.884 76.4 129.4 61.3 41.9 35.2 4.7 19.5 113 113 A Q S S- 0 0 114 -4,-0.2 -4,-2.4 1,-0.0 -1,-0.3 -0.959 71.1 -81.7-125.7 142.9 38.1 3.3 17.6 114 114 A P B -J 108 0D 68 0, 0.0 2,-1.5 0, 0.0 -6,-0.3 -0.121 33.5-139.4 -46.2 124.8 37.8 0.8 14.6 115 115 A N > - 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0 0 30 -5,-3.0 -1,-0.2 1,-0.1 2,-0.1 -0.728 44.0 -84.2-102.7 154.0 -2.4 -11.5 10.8 213 213 A A - 0 0 65 -2,-0.3 2,-3.0 1,-0.1 5,-0.4 -0.357 41.1-121.3 -58.8 127.7 -0.0 -14.4 10.2 214 214 A R S S+ 0 0 108 -2,-0.1 -151,-2.1 3,-0.1 2,-0.3 -0.333 77.7 98.6 -71.3 64.0 3.3 -13.8 11.9 215 215 A T B > S-I 62 0C 33 -2,-3.0 3,-1.0 -153,-0.3 4,-0.3 -0.872 90.7 -94.2-142.0 174.9 5.3 -14.1 8.6 216 216 A K G >> S+ 0 0 28 -155,-1.7 3,-1.6 -2,-0.3 4,-0.6 0.793 113.1 73.7 -62.2 -29.6 6.8 -12.0 5.8 217 217 A G G 34 S+ 0 0 14 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.857 101.5 39.7 -53.8 -39.1 3.6 -12.3 3.8 218 218 A S G <> S+ 0 0 15 -3,-1.0 4,-2.2 -5,-0.4 -1,-0.3 0.377 91.0 92.2 -92.8 2.9 1.7 -9.9 6.1 219 219 A S H <> S+ 0 0 11 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.2 0.872 84.3 52.1 -64.7 -37.5 4.7 -7.5 6.4 220 220 A Y H X S+ 0 0 22 -4,-0.6 4,-2.5 -3,-0.4 -1,-0.2 0.912 109.3 49.5 -65.7 -42.4 3.5 -5.4 3.5 221 221 A L H > S+ 0 0 34 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.953 112.0 48.4 -60.7 -50.4 0.0 -5.1 4.9 222 222 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.5 48.6 -56.2 -48.4 1.4 -4.0 8.3 223 223 A D H X S+ 0 0 62 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.877 108.6 52.7 -61.9 -40.7 3.7 -1.5 6.7 224 224 A D H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.888 110.1 49.7 -63.4 -36.5 1.0 0.0 4.5 225 225 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.940 114.8 43.0 -66.9 -45.7 -1.1 0.5 7.6 226 226 A I H >< S+ 0 0 5 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.951 115.0 49.2 -64.7 -49.9 1.7 2.2 9.5 227 227 A I H 3< S+ 0 0 88 -4,-3.2 3,-0.4 1,-0.3 -2,-0.2 0.903 121.1 35.1 -56.2 -46.1 2.8 4.3 6.6 228 228 A H T >< S+ 0 0 45 -4,-2.3 3,-1.5 -5,-0.2 7,-0.3 -0.004 80.0 126.0 -97.9 27.9 -0.8 5.5 5.9 229 229 A R T < S+ 0 0 32 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.762 74.2 49.6 -57.9 -25.2 -1.7 5.6 9.6 230 230 A K T 3 S+ 0 0 138 -3,-0.4 2,-0.8 -4,-0.2 -1,-0.3 0.564 94.6 79.6 -91.2 -10.4 -2.8 9.2 9.2 231 231 A D <> - 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0 0 25 -2,-0.6 -2,-0.1 -5,-0.4 -21,-0.1 -0.957 58.9-122.2-122.2 129.0 23.0 17.4 -17.1 618 297 B R > - 0 0 128 -2,-0.4 3,-2.1 1,-0.1 4,-0.2 -0.248 31.3-108.7 -63.6 151.9 25.4 16.2 -14.4 619 298 B D G > S+ 0 0 52 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.855 118.1 61.9 -46.7 -44.4 24.0 14.5 -11.3 620 299 B E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.772 108.2 43.7 -56.0 -28.8 25.0 17.5 -9.2 621 300 B R G < S+ 0 0 71 -3,-2.1 -24,-2.3 2,-0.0 2,-0.6 0.235 92.6 92.2-104.7 13.9 22.6 19.6 -11.3 622 301 B F E < -b 597 0J 28 -3,-1.9 2,-0.4 -4,-0.2 -24,-0.2 -0.938 61.2-160.0-109.0 123.0 19.6 17.3 -11.5 623 302 B F E +b 598 0J 62 -26,-4.0 -24,-2.1 -2,-0.6 2,-0.3 -0.863 26.1 140.0-112.9 139.7 17.1 17.8 -8.7 624 303 B K - 0 0 63 -2,-0.4 2,-0.1 -26,-0.2 -24,-0.1 -0.832 26.4-156.1-169.9 128.0 14.4 15.5 -7.4 625 304 B T - 0 0 57 -26,-0.4 3,-0.3 -2,-0.3 -321,-0.0 -0.373 26.4-122.7 -97.5-177.5 13.2 14.9 -3.9 626 305 B N S S+ 0 0 85 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 -0.033 108.9 60.3-115.0 27.5 11.4 11.8 -2.6 627 306 B N > + 0 0 30 -321,-0.0 3,-2.4 1,-0.0 4,-0.4 -0.195 67.6 153.9-141.4 35.3 8.4 13.7 -1.5 628 307 B S G > + 0 0 12 -3,-0.3 -27,-1.5 1,-0.3 3,-1.3 0.717 62.3 60.8 -41.1 -43.8 7.6 15.1 -5.0 629 308 B Q G 3 S+ 0 0 75 1,-0.3 4,-0.3 -28,-0.2 -1,-0.3 0.768 111.5 44.3 -61.4 -21.8 3.8 15.7 -4.5 630 309 B Y G <> S+ 0 0 21 -3,-2.4 4,-2.3 -29,-0.2 5,-0.3 0.432 82.9 98.3-100.2 -3.1 4.8 18.1 -1.8 631 310 B D H <> S+ 0 0 15 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.1 0.892 86.7 45.2 -52.7 -44.8 7.7 19.9 -3.5 632 311 B L H > S+ 0 0 9 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.959 113.9 44.5 -66.1 -55.5 5.5 22.9 -4.6 633 312 B V H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.853 114.2 52.4 -61.0 -32.6 3.6 23.6 -1.3 634 313 B N H X S+ 0 0 54 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.920 109.0 49.8 -68.0 -41.5 6.9 23.2 0.6 635 314 B G H X S+ 0 0 5 -4,-1.9 4,-0.7 -5,-0.3 -2,-0.2 0.892 110.3 50.0 -62.6 -39.0 8.5 25.7 -1.8 636 315 B M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 3,-0.5 0.902 111.8 49.3 -64.2 -42.1 5.5 28.1 -1.2 637 316 B Y H X S+ 0 0 10 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.934 106.4 53.7 -62.2 -50.8 6.0 27.6 2.6 638 317 B L H < S+ 0 0 82 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.671 117.5 40.2 -60.7 -16.8 9.7 28.2 2.6 639 318 B I H < S+ 0 0 71 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.811 125.1 30.8 -99.5 -40.2 9.0 31.5 0.8 640 319 B G H < 0 0 30 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.626 360.0 360.0 -98.0 -14.5 5.9 32.8 2.6 641 320 B N < 0 0 96 -4,-2.9 -317,-0.0 -5,-0.2 -304,-0.0 -0.153 360.0 360.0 -95.3 360.0 6.3 31.4 6.1