==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-SEP-12 4H2S . COMPND 2 MOLECULE: AMINO ACID--[ACYL-CARRIER-PROTEIN] LIGASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR M.LUIC,I.WEYGAND-DURASEVIC,N.IVIC,M.MOCIBOB . 699 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 18.0 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 . 2 0.3 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 . 46 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 1 7 1 0 0 0 0 6 0 3 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 4 5 1 3 0 2 0 2 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 0 1 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 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 18 A D > 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 137.8 99.4 57.0 32.1 2 19 A P T 3 + 0 0 65 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.715 360.0 54.1 -57.3 -22.4 97.1 59.8 30.9 3 20 A L T > S+ 0 0 0 1,-0.2 3,-2.3 2,-0.1 4,-0.3 0.664 82.0 91.6 -84.8 -13.7 94.0 57.8 31.8 4 21 A D G X S+ 0 0 80 -3,-1.8 3,-1.7 1,-0.3 4,-0.3 0.774 72.8 66.8 -57.4 -31.2 95.0 57.1 35.4 5 22 A H G 3 S+ 0 0 123 -3,-0.4 3,-0.4 -4,-0.3 4,-0.3 0.713 92.6 63.2 -63.6 -21.8 93.3 60.1 36.8 6 23 A L G X> S+ 0 0 2 -3,-2.3 4,-1.5 1,-0.2 3,-0.5 0.658 80.2 84.9 -74.8 -18.3 89.9 58.6 35.9 7 24 A A H <> S+ 0 0 33 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.2 0.875 80.6 58.9 -58.0 -42.2 90.3 55.6 38.3 8 25 A D H 34 S+ 0 0 148 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.881 115.1 33.4 -60.9 -39.6 89.1 57.3 41.4 9 26 A K H <4 S+ 0 0 124 -3,-0.5 17,-0.4 -4,-0.3 -1,-0.2 0.695 128.1 36.1 -85.9 -19.7 85.6 58.1 40.1 10 27 A L H < S+ 0 0 0 -4,-1.5 13,-2.3 -3,-0.2 2,-0.3 0.789 113.6 26.4-104.5 -32.0 85.1 55.1 37.8 11 28 A F E < -A 22 0A 13 -4,-2.5 2,-0.4 -5,-0.3 11,-0.2 -0.854 48.9-149.3-136.9 158.1 86.7 52.0 39.4 12 29 A H E -A 21 0A 46 9,-1.6 9,-2.3 -2,-0.3 2,-0.1 -0.989 39.5-103.5-124.3 144.4 87.7 50.2 42.6 13 30 A S E -A 20 0A 85 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.373 25.9-172.9 -63.1 136.8 90.6 47.8 42.7 14 31 A M E - 0 0 1 5,-0.9 338,-0.6 2,-0.3 341,-0.2 0.055 56.5-100.0-115.6 18.3 89.8 44.1 42.8 15 32 A G E S+ 0 0 45 1,-0.1 2,-0.3 336,-0.1 339,-0.1 0.704 96.9 87.4 75.5 21.6 93.4 43.1 43.5 16 33 A S E > S-A 19 0A 9 3,-0.5 3,-2.0 336,-0.1 -2,-0.3 -0.912 81.6-109.6-155.6 125.0 94.2 42.2 39.9 17 34 A D T 3 S+ 0 0 61 -2,-0.3 130,-0.2 1,-0.3 3,-0.1 -0.244 104.0 14.8 -53.7 132.3 95.4 44.3 36.9 18 35 A G T 3 S+ 0 0 1 128,-0.3 135,-2.0 127,-0.1 136,-1.3 0.491 105.8 97.2 81.4 5.1 92.7 44.7 34.3 19 36 A V E < +A 16 0A 1 -3,-2.0 -5,-0.9 133,-0.2 -3,-0.5 -0.948 51.0 164.2-129.2 108.8 89.9 43.6 36.6 20 37 A Y E -A 13 0A 31 -2,-0.5 2,-0.3 134,-0.3 -7,-0.2 -0.944 38.6-121.2-129.9 145.6 88.0 46.4 38.3 21 38 A A E -A 12 0A 0 -9,-2.3 -9,-1.6 -2,-0.3 2,-0.4 -0.616 36.9-128.3 -75.8 146.3 84.7 47.0 40.1 22 39 A R E -AB 11 346A 6 324,-2.8 324,-2.2 -2,-0.3 -11,-0.2 -0.833 13.6-134.9-106.3 130.9 82.6 49.5 38.4 23 40 A T E > - B 0 345A 18 -13,-2.3 4,-2.8 -2,-0.4 5,-0.2 -0.324 28.1-108.2 -76.0 163.2 81.1 52.5 40.2 24 41 A A H > S+ 0 0 59 320,-0.7 4,-2.2 1,-0.2 5,-0.2 0.887 121.2 54.4 -55.7 -39.5 77.4 53.6 39.7 25 42 A L H > S+ 0 0 43 -16,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.963 111.4 43.1 -60.0 -53.5 78.7 56.7 37.7 26 43 A Y H >> S+ 0 0 0 -17,-0.4 4,-2.1 1,-0.2 3,-0.5 0.934 114.3 49.3 -58.5 -49.3 80.7 54.5 35.3 27 44 A E H 3X S+ 0 0 37 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.832 103.3 61.3 -67.3 -28.6 78.0 51.9 34.9 28 45 A S H 3X S+ 0 0 30 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.887 108.1 44.2 -64.2 -34.7 75.3 54.6 34.2 29 46 A I H < S+ 0 0 4 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.931 109.2 53.6 -60.6 -44.0 73.8 51.3 20.3 38 55 A T H >< S+ 0 0 48 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.880 99.5 61.5 -56.1 -40.9 70.5 49.4 20.5 39 56 A S H 3< S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.705 103.8 51.5 -64.2 -17.6 68.6 52.4 19.0 40 57 A H T << S+ 0 0 57 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.302 79.9 129.3 -99.3 6.2 70.7 52.0 15.9 41 58 A R < - 0 0 95 -3,-2.3 2,-0.1 1,-0.1 3,-0.1 -0.439 62.0-117.8 -65.0 133.8 70.0 48.3 15.5 42 59 A E > - 0 0 26 -2,-0.1 3,-0.9 1,-0.1 -1,-0.1 -0.393 34.4 -96.9 -69.3 145.8 68.8 47.3 12.0 43 60 A A T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.266 108.9 32.8 -60.4 149.7 65.3 45.8 11.6 44 61 A G T 3 S+ 0 0 67 1,-0.3 89,-0.6 -3,-0.1 2,-0.6 0.696 83.9 139.3 74.3 18.8 65.2 42.0 11.4 45 62 A T E < -i 133 0B 22 -3,-0.9 2,-0.6 87,-0.1 -1,-0.3 -0.857 47.7-139.7 -98.9 123.7 68.2 41.7 13.7 46 63 A E E -i 134 0B 60 87,-2.6 89,-2.4 -2,-0.6 2,-0.6 -0.732 14.6-142.0 -85.2 121.2 67.9 38.9 16.3 47 64 A A E +i 135 0B 16 -2,-0.6 274,-0.5 87,-0.2 2,-0.4 -0.720 23.9 173.3 -88.0 122.0 69.2 39.8 19.8 48 65 A L E -i 136 0B 1 87,-2.8 89,-0.7 -2,-0.6 2,-0.5 -0.966 18.1-153.5-121.6 143.7 71.0 37.1 21.8 49 66 A R E -iJ 137 319B 54 270,-2.1 270,-2.9 -2,-0.4 89,-0.2 -0.973 14.1-159.0-116.4 123.0 72.8 37.6 25.1 50 67 A F - 0 0 9 87,-2.7 89,-0.4 -2,-0.5 268,-0.1 -0.768 15.7-121.7-102.5 145.0 75.7 35.2 25.9 51 68 A P - 0 0 0 0, 0.0 59,-0.1 0, 0.0 -1,-0.1 -0.179 39.3 -97.0 -69.9 173.2 77.1 34.3 29.4 52 69 A P S S+ 0 0 9 0, 0.0 58,-1.8 0, 0.0 2,-0.3 0.451 106.5 59.1 -77.5 1.9 80.8 35.0 30.0 53 70 A V E +Q 109 0C 0 56,-0.3 2,-0.3 87,-0.1 56,-0.2 -0.901 61.7 176.8-125.0 157.7 81.6 31.3 29.3 54 71 A M E -Q 108 0C 0 54,-2.2 54,-2.5 -2,-0.3 2,-0.2 -0.927 44.4 -62.5-148.6 172.0 81.1 29.2 26.2 55 72 A S E > -Q 107 0C 9 256,-0.6 4,-1.9 -2,-0.3 52,-0.3 -0.389 33.5-150.7 -63.4 125.6 81.9 25.7 24.9 56 73 A R H > S+ 0 0 45 50,-2.5 4,-2.7 1,-0.2 5,-0.2 0.888 98.3 55.5 -63.4 -37.2 85.6 25.0 24.7 57 74 A A H > S+ 0 0 63 49,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.915 106.9 49.0 -62.9 -42.6 84.9 22.5 21.8 58 75 A Q H > S+ 0 0 30 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.885 112.4 48.5 -63.9 -36.5 83.1 25.2 19.8 59 76 A L H <>S+ 0 0 2 -4,-1.9 5,-1.4 2,-0.2 4,-0.3 0.924 111.3 49.2 -70.7 -42.2 85.9 27.7 20.4 60 77 A E H ><5S+ 0 0 34 -4,-2.7 3,-2.0 1,-0.2 5,-0.2 0.947 110.4 51.2 -57.7 -48.7 88.6 25.1 19.4 61 78 A K H 3<5S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 101.5 62.4 -60.5 -31.5 86.6 24.3 16.2 62 79 A S T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.548 115.8-114.8 -73.0 -5.9 86.4 28.0 15.4 63 80 A G T X>5 + 0 0 21 -3,-2.0 3,-1.2 -4,-0.3 4,-0.6 0.585 69.5 141.2 87.0 11.3 90.2 28.0 15.1 64 81 A Y H >>< + 0 0 4 -5,-1.4 4,-2.6 1,-0.3 3,-1.0 0.817 68.3 59.4 -53.9 -36.4 90.9 30.4 18.1 65 82 A L H 34 S+ 0 0 4 1,-0.3 -1,-0.3 -5,-0.2 321,-0.1 0.769 100.1 55.9 -67.6 -28.1 94.0 28.3 19.1 66 83 A K H <4 S+ 0 0 91 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.661 120.5 30.4 -72.0 -17.6 95.6 29.0 15.7 67 84 A S H << S+ 0 0 25 -3,-1.0 134,-3.0 -4,-0.6 -2,-0.2 0.858 134.7 5.6-110.9 -56.6 95.3 32.7 16.3 68 85 A F >X + 0 0 19 -4,-2.6 3,-2.0 132,-0.2 4,-0.7 -0.286 63.2 146.7-132.1 53.2 95.4 33.8 19.9 69 86 A P G >4 S+ 0 0 4 0, 0.0 3,-0.6 0, 0.0 306,-0.5 0.807 76.2 61.3 -58.9 -28.0 96.2 30.8 22.2 70 87 A N G 34 S+ 0 0 34 1,-0.2 -2,-0.1 -3,-0.1 -5,-0.1 0.639 104.2 48.7 -71.7 -16.3 98.1 33.2 24.5 71 88 A L G <4 S+ 0 0 8 -3,-2.0 72,-2.5 71,-0.1 -1,-0.2 0.574 84.3 114.8 -96.7 -12.5 94.9 35.2 25.2 72 89 A L << - 0 0 6 -4,-0.7 2,-0.6 -3,-0.6 303,-0.4 -0.346 48.9-158.3 -70.3 132.9 92.6 32.3 26.0 73 90 A G E -R 109 0C 1 36,-0.5 36,-2.9 68,-0.3 2,-0.3 -0.963 14.9-163.8-104.5 120.9 91.2 31.9 29.5 74 91 A C E -RS 108 373C 0 299,-3.5 299,-2.5 -2,-0.6 2,-0.5 -0.774 18.9-122.3-102.3 147.0 90.1 28.3 30.1 75 92 A V E + S 0 372C 0 32,-2.4 30,-3.0 -2,-0.3 32,-0.4 -0.784 35.2 178.9 -85.9 128.3 87.8 27.2 32.9 76 93 A C E +RS 104 371C 3 295,-2.5 295,-3.6 -2,-0.5 2,-0.3 -0.935 1.6 172.1-126.5 157.1 89.4 24.6 35.2 77 94 A G E -R 103 0C 0 26,-2.5 26,-2.3 -2,-0.3 2,-1.1 -0.901 45.2 -86.7-151.0 172.6 88.0 22.9 38.3 78 95 A L + 0 0 2 288,-0.5 24,-0.1 291,-0.5 7,-0.1 -0.820 49.8 163.8 -89.0 98.0 88.5 20.2 40.9 79 96 A H + 0 0 68 -2,-1.1 -1,-0.1 22,-0.5 23,-0.1 0.308 38.3 101.3 -99.5 4.7 86.9 17.3 39.0 80 97 A G S S- 0 0 36 21,-0.3 2,-0.1 1,-0.2 -2,-0.0 0.184 78.6 -65.9 -78.4-162.3 88.4 14.5 41.2 81 98 A T > - 0 0 73 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.353 48.7-103.3 -82.0 165.8 87.0 12.3 44.0 82 99 A E H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 124.2 51.9 -55.2 -40.1 86.0 13.5 47.4 83 100 A R H > S+ 0 0 211 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 111.0 44.5 -63.7 -50.3 89.2 12.1 48.7 84 101 A E H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 114.4 50.3 -62.2 -39.0 91.5 13.9 46.1 85 102 A I H X S+ 0 0 7 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.944 109.0 51.0 -66.6 -45.5 89.6 17.1 46.6 86 103 A N H X S+ 0 0 69 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.886 110.2 50.9 -55.6 -41.0 89.9 16.9 50.4 87 104 A A H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.886 107.3 52.4 -66.3 -40.7 93.7 16.4 49.9 88 105 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.947 111.5 47.2 -56.2 -47.4 93.9 19.4 47.6 89 106 A V H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.900 108.5 54.9 -64.6 -40.0 92.2 21.5 50.3 90 107 A S H X S+ 0 0 70 -4,-2.4 4,-1.6 2,-0.2 6,-0.2 0.901 105.7 52.8 -58.3 -42.6 94.5 20.1 53.0 91 108 A R H <>S+ 0 0 82 -4,-2.1 5,-3.6 1,-0.2 3,-0.3 0.927 109.5 48.7 -59.2 -42.7 97.5 21.2 50.9 92 109 A F H ><5S+ 0 0 51 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.938 106.7 56.6 -61.9 -46.7 96.1 24.7 50.7 93 110 A D H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.0 49.3 -53.0 -33.4 95.5 24.6 54.5 94 111 A A T 3<5S- 0 0 91 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.334 126.4-101.6 -89.8 6.8 99.2 23.9 55.0 95 112 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.675 85.7 125.3 81.3 16.0 100.1 26.8 52.7 96 113 A G < - 0 0 43 -5,-3.6 2,-0.7 -6,-0.2 -1,-0.2 -0.057 69.7 -75.8 -91.1-160.5 100.8 24.4 49.9 97 114 A D > + 0 0 77 1,-0.1 3,-0.6 -3,-0.1 -5,-0.1 -0.856 37.7 172.3-113.1 106.3 99.4 24.3 46.4 98 115 A W G > + 0 0 4 -2,-0.7 3,-1.8 1,-0.2 -1,-0.1 0.705 69.2 81.1 -77.8 -18.7 95.9 23.0 45.8 99 116 A T G > S+ 0 0 12 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.692 71.7 76.7 -69.3 -16.8 95.9 24.1 42.1 100 117 A T G < S+ 0 0 101 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.710 89.1 60.8 -64.5 -18.1 97.8 21.0 41.0 101 118 A S G < S+ 0 0 39 -3,-1.8 -22,-0.5 -4,-0.1 -21,-0.3 0.441 84.0 109.8 -86.4 0.7 94.5 19.1 41.4 102 119 A L < + 0 0 29 -3,-2.1 -24,-0.2 -24,-0.1 -26,-0.0 -0.491 43.3 180.0 -75.3 145.5 92.8 21.3 38.8 103 120 A S E - R 0 77C 47 -26,-2.3 -26,-2.5 -2,-0.2 294,-0.0 -0.978 35.9 -87.7-141.1 155.0 91.9 20.0 35.4 104 121 A P E - R 0 76C 37 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.297 35.1-147.9 -66.7 140.9 90.2 21.7 32.4 105 122 A A E - 0 0 9 -30,-3.0 -30,-0.1 2,-0.3 265,-0.0 -0.250 35.0 -98.8 -84.6-175.0 86.4 21.8 32.1 106 123 A D E S+ 0 0 82 -2,-0.1 -50,-2.5 -50,-0.1 -49,-0.5 0.093 98.4 83.2 -93.0 21.4 84.6 21.8 28.8 107 124 A L E -Q 55 0C 0 -32,-0.4 -32,-2.4 -52,-0.3 -2,-0.3 -0.943 53.9-169.5-126.8 148.8 84.2 25.6 29.0 108 125 A V E -QR 54 74C 0 -54,-2.5 -54,-2.2 -2,-0.3 2,-0.4 -0.880 37.0-102.0-121.1 161.9 86.3 28.7 28.2 109 126 A L E -QR 53 73C 6 -36,-2.9 -36,-0.5 -2,-0.3 -56,-0.3 -0.728 52.8-106.3 -77.0 131.0 85.8 32.3 29.0 110 127 A S - 0 0 0 -58,-1.8 31,-2.3 -2,-0.4 3,-0.1 -0.410 28.0-164.1 -67.8 125.9 84.5 33.8 25.8 111 128 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.634 76.9 13.5 -87.2 -12.6 87.2 35.9 24.0 112 129 A A S S- 0 0 8 27,-0.1 3,-0.4 1,-0.1 27,-0.1 -0.968 72.8-123.2-153.7 156.8 84.6 37.7 21.8 113 130 A A S S+ 0 0 0 -2,-0.3 24,-0.2 1,-0.2 4,-0.2 0.771 101.8 58.3 -71.5 -27.0 80.8 38.0 21.8 114 131 A C S >> S+ 0 0 7 1,-0.2 3,-2.3 2,-0.1 4,-0.6 0.761 78.4 86.0 -82.7 -24.2 80.2 36.6 18.3 115 132 A Y T >4 S+ 0 0 31 -3,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.850 88.3 51.2 -48.4 -45.8 81.8 33.1 18.5 116 133 A P T 3> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.683 98.6 69.0 -69.2 -11.3 78.7 31.3 20.0 117 134 A V H <> S+ 0 0 0 -3,-2.3 4,-2.7 -4,-0.2 -2,-0.2 0.810 86.6 64.2 -79.0 -27.3 76.4 32.7 17.3 118 135 A Y H S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.895 114.7 52.8 -60.9 -33.9 76.9 27.2 15.5 120 137 A I H < S+ 0 0 11 -4,-1.0 3,-0.4 1,-0.2 4,-0.3 0.942 111.1 45.7 -63.6 -44.2 73.5 28.6 16.5 121 138 A A H >< S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.913 108.6 57.2 -64.1 -41.9 73.0 30.0 13.1 122 139 A A H >< S+ 0 0 25 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.797 95.2 65.4 -57.2 -32.9 74.2 26.8 11.4 123 140 A S T 3< S+ 0 0 97 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.582 90.8 65.5 -72.6 -9.8 71.5 24.7 13.1 124 141 A R T < S- 0 0 100 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.409 103.9-122.8 -93.9 0.6 68.7 26.5 11.3 125 142 A G < - 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0 0 39 -2,-2.1 -132,-0.2 5,-0.3 9,-0.1 -0.294 24.6-110.6 -58.0 138.7 79.1 22.5 52.2 498 218 B F > + 0 0 37 -134,-2.6 4,-0.7 4,-0.1 -1,-0.1 -0.362 65.9 3.2 -78.1 148.0 81.3 19.8 50.7 499 219 B G H > S- 0 0 17 2,-0.2 4,-1.1 3,-0.1 3,-0.4 0.132 98.7 -52.2 77.0 171.6 82.2 16.4 52.2 500 220 B R H >> S+ 0 0 75 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.906 136.5 47.3 -47.8 -56.9 81.4 14.5 55.4 501 221 B V H >> S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 3,-1.3 0.839 102.8 67.8 -55.3 -34.8 82.2 17.4 57.7 502 222 B G H 3X S+ 0 0 0 -4,-0.7 4,-2.3 -3,-0.4 -5,-0.3 0.844 89.5 60.7 -57.5 -39.4 80.2 19.7 55.4 503 223 B Q H S+ 0 0 19 -4,-1.7 5,-1.9 -5,-0.2 4,-0.5 0.912 111.0 46.1 -65.6 -41.6 74.0 26.6 60.0 510 230 B K H ><5S+ 0 0 84 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.948 113.2 49.4 -62.7 -49.7 70.4 25.5 60.1 511 231 B Q H 3<5S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.871 112.7 46.3 -59.0 -42.3 70.4 25.4 63.9 512 232 B Q H 3<5S- 0 0 38 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.561 105.1-133.3 -77.6 -7.8 71.9 28.9 64.1 513 233 B Q T <<5 + 0 0 81 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.838 54.6 147.8 57.9 36.8 69.4 30.1 61.5 514 234 B L < + 0 0 23 -5,-1.9 22,-2.7 -6,-0.2 2,-0.4 0.632 59.5 48.8 -73.9 -13.8 72.1 31.9 59.6 515 235 B K E + G 0 535A 12 -6,-0.5 -22,-2.4 -22,-0.4 2,-0.3 -0.956 56.1 177.0-139.5 121.3 70.4 31.2 56.2 516 236 B F E -FG 492 534A 30 18,-2.5 18,-2.8 -2,-0.4 2,-0.4 -0.866 12.2-160.9-109.8 154.4 66.8 31.7 54.9 517 237 B E E -FG 491 533A 43 -26,-2.3 -26,-2.0 -2,-0.3 2,-0.6 -0.985 19.1-135.6-130.7 143.8 65.7 31.0 51.4 518 238 B L E -FG 490 532A 0 14,-2.4 13,-2.7 -2,-0.4 14,-1.1 -0.916 34.6-159.8 -93.8 120.3 62.6 32.1 49.5 519 239 B L E -FG 489 530A 17 -30,-3.1 -30,-2.0 -2,-0.6 11,-0.2 -0.880 12.7-165.1-116.4 129.2 61.5 28.9 47.8 520 240 B I E - G 0 529A 2 9,-2.8 9,-3.6 -2,-0.5 2,-0.9 -0.956 22.8-129.3-118.6 121.6 59.3 28.7 44.8 521 241 B P + 0 0 23 0, 0.0 4,-0.2 0, 0.0 -34,-0.1 -0.602 45.7 151.1 -69.7 104.1 57.6 25.4 43.9 522 242 B L S S+ 0 0 6 -2,-0.9 3,-0.1 2,-0.4 0, 0.0 0.791 80.4 12.1-102.4 -45.3 58.5 25.1 40.2 523 243 B R S S- 0 0 43 4,-0.5 2,-0.3 1,-0.4 3,-0.1 0.686 138.8 -14.5-104.9 -23.5 58.6 21.3 39.6 524 244 B S - 0 0 19 3,-0.4 -1,-0.4 -4,-0.1 -2,-0.4 -0.964 55.1-117.1-170.6 158.8 57.0 20.3 42.9 525 245 B E S S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.725 116.6 53.6 -73.8 -20.8 56.1 21.6 46.3 526 246 B E S S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.680 115.8 36.4 -89.8 -20.9 58.5 19.1 47.8 527 247 B Q S S+ 0 0 127 -3,-0.1 -4,-0.5 2,-0.0 -3,-0.4 -0.539 84.9 174.3-123.8 67.8 61.5 20.2 45.7 528 248 B P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.230 31.4-112.6 -73.9 166.7 61.0 23.9 45.5 529 249 B T E -G 520 0A 4 -9,-3.6 -9,-2.8 -5,-0.1 2,-0.7 -0.870 18.6-132.1-105.3 124.2 63.6 26.3 43.9 530 250 B A E +G 519 0A 18 -2,-0.5 -11,-0.2 -11,-0.2 3,-0.1 -0.625 32.9 167.4 -73.2 113.2 65.5 28.8 46.1 531 251 B C E + 0 0 2 -13,-2.7 32,-2.6 -2,-0.7 2,-0.3 0.589 65.4 21.0-106.9 -16.8 65.2 32.1 44.2 532 252 B M E -GH 518 562A 5 -14,-1.1 -14,-2.4 30,-0.2 2,-0.3 -0.984 66.3-159.7-142.8 151.5 66.4 34.4 47.0 533 253 B S E -GH 517 561A 18 28,-2.0 28,-2.7 -2,-0.3 2,-0.5 -0.956 9.6-153.2-129.9 158.6 68.5 33.9 50.1 534 254 B F E -GH 516 560A 1 -18,-2.8 -18,-2.5 -2,-0.3 2,-0.4 -0.964 25.9-170.8-131.2 110.3 69.0 35.8 53.3 535 255 B N E -GH 515 559A 13 24,-3.4 24,-2.1 -2,-0.5 2,-0.5 -0.868 20.8-166.5-120.4 134.2 72.4 35.2 54.8 536 256 B Y E - H 0 558A 31 -22,-2.7 22,-0.2 -2,-0.4 -2,-0.0 -0.982 5.0-178.6-115.8 126.3 74.0 36.1 58.1 537 257 B H > - 0 0 39 20,-2.9 3,-1.9 -2,-0.5 4,-0.2 0.369 21.8-153.1-104.5 2.0 77.8 35.6 58.1 538 258 B R T 3 - 0 0 72 19,-0.4 19,-2.0 1,-0.2 -1,-0.3 -0.318 66.3 -33.4 47.2-134.4 78.4 36.6 61.7 539 259 B E T 3> S+ 0 0 60 17,-0.2 4,-3.1 1,-0.2 5,-0.4 0.249 105.2 112.6 -97.6 14.7 82.0 37.9 61.9 540 260 B H H <> S+ 0 0 84 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.922 87.2 30.5 -53.9 -55.2 83.5 35.6 59.3 541 261 B F H > S+ 0 0 13 -3,-0.3 4,-2.6 2,-0.2 6,-0.3 0.818 116.9 59.5 -75.6 -31.1 84.3 38.2 56.7 542 262 B G H >>S+ 0 0 0 13,-0.5 5,-2.8 -4,-0.3 4,-0.5 0.942 113.1 37.7 -60.4 -46.8 84.8 40.9 59.3 543 263 B T H ><5S+ 0 0 85 -4,-3.1 3,-0.7 12,-0.2 -2,-0.2 0.919 115.1 54.5 -69.6 -45.6 87.6 38.9 60.9 544 264 B T H 3<5S+ 0 0 36 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.911 120.6 30.5 -54.2 -45.0 89.0 37.6 57.6 545 265 B W H 3<5S- 0 0 38 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.387 108.8-116.9-102.1 5.6 89.4 41.1 56.2 546 266 B G T <<5 + 0 0 53 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.895 50.9 169.6 60.3 41.8 90.1 42.9 59.4 547 267 B I < - 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0 0 28 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.099 32.3 -74.7 83.0 174.3 53.8 31.6 30.8 577 297 B T S S+ 0 0 47 -4,-0.1 2,-0.7 1,-0.1 -1,-0.2 0.312 103.7 89.4 -97.3 6.4 55.8 33.0 27.9 578 298 B D > - 0 0 89 -3,-0.3 3,-0.9 1,-0.1 4,-0.1 -0.918 58.6-166.3-105.6 108.3 53.3 35.3 26.4 579 299 B L G > S+ 0 0 32 -2,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.800 83.7 62.0 -67.1 -33.0 53.8 38.7 28.1 580 300 B S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 7,-0.0 7,-0.1 0.783 102.5 54.8 -65.3 -22.6 50.5 40.2 26.9 581 301 B A G < S+ 0 0 69 -3,-0.9 -1,-0.3 -6,-0.1 -2,-0.2 0.408 83.5 111.1 -88.9 -0.0 48.7 37.4 28.9 582 302 B W S < S- 0 0 8 -3,-1.6 5,-0.0 1,-0.1 -6,-0.0 -0.451 86.4 -81.5 -72.1 151.8 50.4 38.2 32.2 583 303 B P > - 0 0 59 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.255 36.7-126.4 -53.1 135.9 48.3 39.6 35.0 584 304 B A H > S+ 0 0 82 1,-0.3 4,-2.0 2,-0.2 9,-0.2 0.817 110.4 53.0 -56.9 -35.5 47.8 43.4 34.6 585 305 B K H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.858 110.3 46.4 -69.2 -37.6 49.1 44.0 38.1 586 306 B V H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.948 112.7 50.4 -66.9 -46.6 52.2 42.0 37.4 587 307 B R H <>S+ 0 0 48 -4,-2.9 5,-3.1 1,-0.2 6,-0.8 0.864 111.8 49.6 -57.5 -36.7 52.7 43.9 34.1 588 308 B D H ><5S+ 0 0 119 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.942 108.0 51.3 -68.1 -50.2 52.2 47.1 36.0 589 309 B I H 3<5S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.888 113.5 45.4 -52.8 -42.7 54.7 46.3 38.8 590 310 B L T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.481 114.7-118.9 -83.8 -3.6 57.3 45.5 36.1 591 311 B G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.795 72.5 133.1 72.6 29.3 56.5 48.6 34.1 592 312 B L < 0 0 47 -5,-3.1 -4,-0.2 1,-0.2 -5,-0.1 0.771 360.0 360.0 -78.4 -27.1 55.4 46.7 31.0 593 313 B Q 0 0 107 -6,-0.8 -1,-0.2 -9,-0.2 -3,-0.1 -0.447 360.0 360.0 58.9 360.0 52.1 48.8 30.7 594 !* 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 0.0 595 34 C K > 0 0 113 0, 0.0 4,-1.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 116.4 100.3 44.9 -5.0 596 35 C L H >> + 0 0 37 32,-0.5 5,-1.1 1,-0.2 4,-0.7 0.744 360.0 50.4 -67.7 -23.6 101.0 41.4 -3.9 597 36 C V H 45S+ 0 0 29 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.784 102.2 58.7 -83.5 -31.0 97.5 41.1 -2.5 598 37 C D H 45S+ 0 0 86 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.778 97.0 64.8 -68.3 -28.1 95.9 42.4 -5.8 599 38 C V H <5S- 0 0 111 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.930 126.7 -97.3 -55.0 -50.1 97.6 39.4 -7.4 600 39 C G T <5S+ 0 0 48 -4,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.428 72.8 144.2 139.7 11.7 95.4 37.1 -5.4 601 40 C L < - 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0 0 71 -4,-0.5 -1,-0.2 -5,-0.1 2,-0.2 -0.963 52.8-104.1-152.0 166.6 83.8 29.7 78.0 649 26 D A + 0 0 99 -2,-0.3 2,-0.2 -4,-0.1 -8,-0.0 -0.535 34.2 161.7 -98.4 160.5 81.5 27.7 80.4 650 27 D A - 0 0 69 -2,-0.2 2,-1.0 -9,-0.0 11,-0.1 -0.878 49.6 -65.8-156.4-173.1 77.7 27.5 80.7 651 28 D D - 0 0 86 -2,-0.2 2,-0.5 10,-0.1 5,-0.1 -0.724 48.8-164.7 -93.2 96.3 74.9 25.4 82.2 652 29 D V + 0 0 62 -2,-1.0 -15,-0.0 -15,-0.1 6,-0.0 -0.693 17.9 159.4 -87.9 121.9 74.9 22.0 80.4 653 30 D T - 0 0 71 -2,-0.5 43,-0.5 4,-0.0 44,-0.2 -0.872 50.2-109.1-133.0 164.2 71.8 19.8 80.8 654 31 D P S S+ 0 0 67 0, 0.0 43,-1.9 0, 0.0 44,-0.2 0.743 116.1 43.0 -69.7 -22.5 70.3 16.9 78.7 655 32 D Q S S+ 0 0 146 41,-0.1 3,-0.1 40,-0.1 -3,-0.0 0.669 87.7 107.6 -96.4 -18.3 67.3 18.9 77.4 656 33 D A S S- 0 0 29 -3,-0.1 40,-0.6 1,-0.1 2,-0.2 -0.315 78.1-111.7 -59.9 134.7 69.1 22.2 76.5 657 34 D K B > -X 695 0F 88 38,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.518 18.3-133.8 -68.3 133.1 69.6 22.8 72.8 658 35 D L H >>S+ 0 0 6 36,-2.8 5,-2.0 1,-0.2 4,-1.1 0.791 107.8 51.5 -58.7 -28.8 73.3 22.6 71.9 659 36 D V H 45S+ 0 0 32 35,-0.4 -1,-0.2 2,-0.2 36,-0.1 0.807 106.9 51.5 -79.6 -29.6 73.0 25.8 69.9 660 37 D D H 45S+ 0 0 109 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.732 103.7 60.0 -76.9 -23.4 71.4 27.7 72.9 661 38 D V H <5S- 0 0 43 -4,-1.6 -1,-0.2 -11,-0.1 -2,-0.2 0.890 128.0 -98.9 -66.5 -41.5 74.3 26.5 75.0 662 39 D G T <5 + 0 0 47 -4,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.418 68.6 150.3 135.5 6.0 76.6 28.3 72.6 663 40 D L < - 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0 0 73 -5,-0.9 2,-0.6 -6,-0.2 -2,-0.2 -0.943 68.3-113.1-142.5 164.8 82.9 4.6 65.5 682 59 D T - 0 0 106 -2,-0.3 -9,-0.1 -3,-0.1 -5,-0.0 -0.886 29.4-129.8-105.3 117.6 82.0 6.5 62.4 683 60 D I - 0 0 10 -2,-0.6 5,-0.1 -11,-0.2 -7,-0.0 -0.472 27.7-119.5 -67.0 126.1 78.7 8.4 62.4 684 61 D P > - 0 0 66 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.252 17.3-119.7 -60.7 152.4 76.5 7.6 59.3 685 62 D Q G > S+ 0 0 79 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.865 113.4 57.5 -64.9 -38.3 75.6 10.4 56.9 686 63 D S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.527 104.9 55.5 -70.1 -3.8 71.9 10.0 57.4 687 64 D E G < S+ 0 0 75 -3,-1.2 2,-1.5 1,-0.1 -1,-0.3 0.431 79.1 93.2-107.8 -4.7 72.6 10.5 61.1 688 65 D I < + 0 0 1 -3,-1.4 -1,-0.1 -4,-0.3 3,-0.0 -0.706 66.6 128.6 -85.4 84.7 74.3 13.9 60.6 689 66 D T S > S- 0 0 29 -2,-1.5 4,-1.6 1,-0.1 5,-0.0 -0.926 75.2-118.1-140.7 157.5 71.1 15.8 61.2 690 67 D P T 4 S+ 0 0 30 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.867 115.2 61.5 -64.5 -31.8 69.7 18.7 63.3 691 68 D E T >4 S+ 0 0 118 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.939 109.5 36.5 -57.2 -54.2 67.3 16.1 64.7 692 69 D N T 34 S+ 0 0 33 1,-0.2 10,-0.2 2,-0.1 3,-0.2 0.749 121.6 47.9 -71.9 -23.0 70.1 13.9 66.2 693 70 D F T 3< S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -35,-0.2 0.111 78.9 102.3-109.2 22.2 72.2 16.9 67.2 694 71 D Q S < S- 0 0 92 -3,-0.9 -36,-2.8 1,-0.2 -35,-0.4 0.936 94.8 -17.0 -66.8 -48.8 69.5 19.0 68.8 695 72 D S B > S-X 657 0F 10 -4,-0.3 4,-2.1 -38,-0.3 3,-0.2 -0.884 72.2 -91.9-148.2 173.3 70.6 18.3 72.4 696 73 D V H > S+ 0 0 2 -40,-0.6 4,-3.6 -43,-0.5 5,-0.2 0.913 124.7 59.3 -56.6 -42.0 72.7 15.8 74.5 697 74 D E H > S+ 0 0 71 -43,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.847 108.8 41.6 -54.8 -41.5 69.4 13.9 74.9 698 75 D T H > S+ 0 0 37 -3,-0.2 4,-1.1 -44,-0.2 -1,-0.2 0.804 115.8 49.2 -79.0 -31.3 69.1 13.4 71.1 699 76 D L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.872 109.3 54.6 -71.2 -38.3 72.8 12.7 70.7 700 77 D E H < S+ 0 0 76 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.948 108.7 46.4 -57.2 -51.9 72.5 10.2 73.5 701 78 D R H < S+ 0 0 99 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.785 112.4 55.7 -61.6 -28.0 69.7 8.4 71.7 702 79 D M H < 0 0 44 -4,-1.1 -2,-0.2 -10,-0.2 -1,-0.2 0.993 360.0 360.0 -69.8 -65.3 71.8 8.5 68.6 703 80 D V < 0 0 63 -4,-2.3 -1,-0.2 -5,-0.0 -2,-0.2 0.503 360.0 360.0 -67.1 360.0 75.1 6.9 69.7