==== 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 OXIDOREDUCTASE 14-MAY-08 3D4O . COMPND 2 MOLECULE: DIPICOLINATE SYNTHASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1162 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 214 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 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 0.3 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 . 128 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 5 7 6 2 0 4 5 0 7 0 0 0 2 2 0 0 0 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 10 22 8 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 . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 8 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 0 A G 0 0 87 0, 0.0 288,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 35.1 -16.3 66.0 41.4 2 1 A X - 0 0 110 1,-0.1 26,-0.2 24,-0.0 25,-0.1 -0.115 360.0-137.4 -72.1 166.0 -17.5 65.7 37.8 3 2 A L > + 0 0 1 24,-4.1 3,-2.6 21,-0.2 27,-0.4 -0.009 44.3 152.8-117.0 22.6 -16.3 67.8 34.9 4 3 A T T 3 S+ 0 0 87 1,-0.3 25,-0.2 23,-0.3 3,-0.1 -0.325 71.8 21.3 -56.0 132.6 -19.6 68.3 33.3 5 4 A G T 3 S+ 0 0 72 23,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.258 96.2 121.8 87.5 -12.5 -19.6 71.6 31.4 6 5 A K < - 0 0 79 -3,-2.6 24,-3.7 22,-0.2 2,-0.6 -0.720 49.6-154.8 -84.1 131.1 -15.7 71.5 31.2 7 6 A H E -a 30 0A 8 -2,-0.4 52,-3.2 50,-0.3 53,-1.3 -0.940 16.4-179.4-109.9 113.9 -14.2 71.6 27.7 8 7 A V E -ab 31 60A 0 22,-3.2 24,-2.8 -2,-0.6 2,-0.6 -0.906 17.5-153.0-116.2 137.1 -10.7 70.1 27.4 9 8 A V E -ab 32 61A 0 51,-2.5 53,-3.3 -2,-0.4 2,-0.6 -0.962 8.4-163.2-108.6 120.5 -8.5 69.8 24.3 10 9 A I E -ab 33 62A 2 22,-2.6 24,-2.9 -2,-0.6 2,-0.7 -0.925 7.1-166.3-105.1 114.6 -6.1 67.0 24.4 11 10 A I E -a 34 0A 0 51,-2.4 24,-0.2 -2,-0.6 64,-0.1 -0.904 45.3 -52.2-109.0 114.0 -3.3 67.4 21.9 12 11 A G + 0 0 0 22,-3.1 2,-0.3 -2,-0.7 64,-0.3 0.057 67.1 135.2 59.2-167.6 -1.2 64.5 21.1 13 12 A G B -f 76 0B 5 62,-1.7 64,-1.0 22,-0.1 65,-0.2 -0.928 43.7 -91.9 128.8-150.0 0.7 62.3 23.4 14 13 A D >> - 0 0 43 -2,-0.3 3,-1.4 62,-0.2 4,-0.7 -0.634 63.4 -45.1-145.7-155.9 1.3 58.6 23.8 15 14 A A H >> S+ 0 0 37 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.807 127.5 60.7 -59.0 -27.3 -0.1 55.5 25.6 16 15 A R H >> S+ 0 0 32 1,-0.3 4,-1.2 2,-0.2 3,-1.1 0.853 94.7 63.6 -69.6 -30.0 -0.4 57.4 28.9 17 16 A Q H <> S+ 0 0 5 -3,-1.4 4,-2.8 1,-0.3 -1,-0.3 0.812 89.8 68.5 -61.6 -28.1 -2.8 59.8 27.3 18 17 A L H S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.867 109.3 51.7 -63.9 -34.2 -11.9 62.5 31.8 25 24 A S H ><5S+ 0 0 23 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.2 0.930 109.6 50.0 -68.6 -41.2 -14.6 60.8 29.8 26 25 A T H 3<5S+ 0 0 95 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.892 107.5 53.4 -64.7 -38.6 -15.9 59.1 33.0 27 26 A F T 3<5S- 0 0 47 -4,-2.4 -24,-4.1 -5,-0.2 -1,-0.3 0.350 118.7-115.6 -80.2 5.0 -15.9 62.4 34.8 28 27 A D T < 5 + 0 0 84 -3,-1.6 -23,-0.5 1,-0.2 -22,-0.2 0.733 56.7 159.8 70.0 29.8 -18.0 63.8 31.9 29 28 A A < - 0 0 5 -5,-2.6 2,-0.6 -25,-0.2 -1,-0.2 -0.506 47.0-116.0 -75.5 147.8 -15.6 66.4 30.6 30 29 A K E -a 7 0A 119 -24,-3.7 -22,-3.2 -27,-0.4 2,-0.5 -0.819 40.6-160.1 -82.6 123.6 -16.3 67.5 27.0 31 30 A I E -a 8 0A 3 -2,-0.6 15,-2.5 13,-0.5 2,-0.6 -0.942 21.3-168.2-120.9 122.6 -13.1 66.4 25.1 32 31 A S E -ac 9 46A 4 -24,-2.8 -22,-2.6 -2,-0.5 2,-0.5 -0.923 19.8-154.8-100.6 123.2 -11.7 67.5 21.8 33 32 A L E -ac 10 47A 1 13,-3.0 15,-2.6 -2,-0.6 2,-0.5 -0.914 10.9-172.5-108.0 124.1 -9.0 65.1 20.7 34 33 A V E S+ac 11 48A 0 -24,-2.9 -22,-3.1 -2,-0.5 15,-0.2 -0.973 70.2 15.4-119.7 124.8 -6.3 66.2 18.4 35 34 A G S S+ 0 0 4 13,-0.8 43,-0.5 -2,-0.5 -1,-0.2 0.736 94.1 100.8 89.5 28.5 -3.8 63.8 16.9 36 35 A F > + 0 0 1 12,-0.3 3,-2.6 -3,-0.2 43,-0.2 0.033 29.0 128.3-129.1 27.7 -5.8 60.6 17.6 37 36 A D T 3 S+ 0 0 79 1,-0.3 42,-0.2 11,-0.1 -1,-0.1 0.633 74.8 57.0 -63.2 -8.5 -7.3 59.8 14.2 38 37 A Q T 3 S+ 0 0 102 40,-2.1 -1,-0.3 -3,-0.1 41,-0.1 0.423 88.1 111.8 -99.5 0.9 -5.9 56.3 14.4 39 38 A L < 0 0 21 -3,-2.6 -3,-0.0 39,-0.3 39,-0.0 -0.202 360.0 360.0 -78.0 165.6 -7.6 55.6 17.7 40 39 A D 0 0 136 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.755 360.0 360.0 89.8 360.0 -10.5 53.1 18.5 41 ! 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 42 42 A F > 0 0 78 0, 0.0 3,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 129.9 -13.6 55.9 22.9 43 43 A I T 3 + 0 0 145 1,-0.2 3,-0.1 3,-0.0 -18,-0.1 -0.438 360.0 19.7 -78.2 148.7 -16.9 57.1 24.2 44 44 A G T 3 S+ 0 0 48 1,-0.2 -13,-0.5 -2,-0.1 2,-0.3 0.818 96.6 107.1 61.0 43.0 -17.6 60.7 24.9 45 45 A V < - 0 0 26 -3,-0.5 2,-0.5 -15,-0.1 -13,-0.2 -0.989 54.8-143.5-147.1 152.0 -14.9 62.3 22.7 46 46 A T E -c 32 0A 82 -15,-2.5 -13,-3.0 -2,-0.3 2,-0.2 -0.952 16.3-149.1-122.5 113.2 -14.6 64.3 19.4 47 47 A K E +c 33 0A 72 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.511 33.3 147.0 -78.7 138.4 -11.6 63.7 17.2 48 48 A X E -c 34 0A 40 -15,-2.6 -13,-0.8 -2,-0.2 -12,-0.3 -0.977 45.8 -89.1-162.7 173.2 -10.5 66.6 15.1 49 49 A R >> - 0 0 114 -2,-0.3 3,-2.8 -15,-0.2 4,-0.5 -0.671 38.4-115.7 -92.8 147.7 -7.7 68.5 13.5 50 50 A I G >4 S+ 0 0 22 1,-0.3 3,-0.9 -2,-0.3 -1,-0.1 0.833 117.3 58.8 -49.0 -36.1 -5.8 71.2 15.3 51 51 A D G 34 S+ 0 0 108 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.480 102.3 55.5 -76.0 -2.6 -7.2 73.7 12.8 52 52 A E G <4 S+ 0 0 103 -3,-2.8 -1,-0.2 2,-0.0 -2,-0.2 0.507 76.2 125.9-108.9 -10.7 -10.8 72.8 13.8 53 53 A V << - 0 0 13 -3,-0.9 2,-1.8 -4,-0.5 3,-0.2 -0.221 59.8-135.8 -61.3 132.6 -10.6 73.5 17.5 54 54 A D > + 0 0 78 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.571 31.7 173.2 -86.0 76.3 -13.2 75.8 19.1 55 55 A W G > + 0 0 14 -2,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.778 66.1 74.2 -56.7 -31.6 -10.6 77.6 21.2 56 56 A N G 3 S+ 0 0 116 1,-0.3 -1,-0.3 37,-0.2 -2,-0.1 0.687 106.0 34.9 -57.7 -20.8 -13.2 80.1 22.4 57 57 A T G < S+ 0 0 51 -3,-2.1 2,-0.4 36,-0.1 -1,-0.3 0.301 85.7 120.8-121.4 10.3 -14.7 77.5 24.6 58 58 A V < - 0 0 0 -3,-1.5 -50,-0.2 -4,-0.2 3,-0.1 -0.651 34.4-177.2 -80.9 125.2 -11.6 75.5 25.8 59 59 A D S S+ 0 0 39 -52,-3.2 39,-1.7 -2,-0.4 2,-0.3 0.665 72.3 13.2 -92.2 -22.8 -11.1 75.6 29.6 60 60 A A E -bd 8 98A 1 -53,-1.3 -51,-2.5 37,-0.2 2,-0.5 -0.987 57.6-149.2-157.6 144.7 -7.9 73.6 29.4 61 61 A I E -bd 9 99A 0 37,-2.7 39,-3.1 -2,-0.3 2,-0.6 -0.982 17.4-158.3-116.2 120.4 -5.3 72.4 26.9 62 62 A L E -bd 10 100A 7 -53,-3.3 -51,-2.4 -2,-0.5 39,-0.2 -0.913 13.8-175.1-106.4 113.7 -3.6 69.1 27.8 63 63 A L - 0 0 9 37,-3.1 -51,-0.1 -2,-0.6 5,-0.1 -0.581 33.6 -83.9-102.6 163.8 -0.2 68.6 26.2 64 64 A P > - 0 0 7 0, 0.0 3,-2.1 0, 0.0 38,-0.9 -0.078 49.1 -97.6 -62.1 171.0 2.1 65.6 26.2 65 65 A I T 3 S+ 0 0 29 1,-0.3 38,-2.0 36,-0.2 37,-0.6 0.859 128.8 48.1 -57.8 -30.4 4.5 65.1 29.1 66 66 A S T 3 S- 0 0 74 1,-0.3 2,-0.5 36,-0.2 -1,-0.3 0.396 98.1-150.8 -92.9 2.3 7.2 66.7 27.0 67 67 A G < - 0 0 1 -3,-2.1 8,-0.3 33,-0.1 -1,-0.3 -0.505 47.5 -35.3 68.8-116.9 5.0 69.6 26.0 68 68 A T - 0 0 15 -2,-0.5 6,-0.2 6,-0.1 2,-0.1 -0.753 58.8-101.7-129.2 178.8 6.1 70.9 22.6 69 69 A N > - 0 0 97 4,-1.4 3,-1.3 -2,-0.2 39,-0.1 -0.279 52.4 -88.7 -88.5-174.8 9.3 71.3 20.5 70 70 A E T 3 S+ 0 0 98 1,-0.3 -1,-0.0 2,-0.1 35,-0.0 0.589 131.6 51.1 -76.9 -6.2 11.0 74.7 20.2 71 71 A A T 3 S- 0 0 71 2,-0.1 -1,-0.3 15,-0.0 0, 0.0 0.328 124.5-102.6-107.7 1.0 8.8 75.3 17.1 72 72 A G < + 0 0 0 -3,-1.3 13,-2.7 1,-0.3 2,-0.2 0.519 66.7 157.0 89.1 7.4 5.6 74.4 18.9 73 73 A K B -G 84 0C 67 11,-0.2 -4,-1.4 1,-0.1 2,-0.6 -0.460 30.3-151.0 -69.8 134.8 5.3 70.9 17.4 74 74 A V - 0 0 0 9,-2.9 9,-0.4 -6,-0.2 -6,-0.1 -0.926 13.1-138.4-110.3 116.9 3.2 68.5 19.4 75 75 A D + 0 0 96 -2,-0.6 -62,-1.7 -8,-0.3 2,-0.3 -0.390 24.1 173.1 -75.1 150.6 4.1 64.8 19.1 76 76 A T B -f 13 0B 23 -64,-0.3 3,-0.2 3,-0.2 -62,-0.2 -0.979 30.7-160.9-155.4 147.4 1.7 61.9 18.8 77 77 A I S S+ 0 0 103 -64,-1.0 -63,-0.1 -2,-0.3 -41,-0.1 0.325 90.7 66.4-106.4 1.6 1.8 58.2 18.1 78 78 A F S S+ 0 0 29 -43,-0.5 -40,-2.1 -65,-0.2 -39,-0.3 0.168 104.4 33.2-110.6 15.5 -1.8 58.0 17.1 79 79 A S - 0 0 8 -3,-0.2 -3,-0.2 -42,-0.2 -1,-0.1 -0.978 55.6-143.7-167.3 152.6 -1.7 60.1 13.9 80 80 A N S S+ 0 0 153 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.398 70.0 116.7 -97.4 -1.7 0.5 61.1 11.0 81 81 A E - 0 0 92 1,-0.1 2,-0.4 -3,-0.0 -2,-0.1 -0.410 67.9-124.9 -70.6 138.9 -0.8 64.6 11.1 82 82 A S - 0 0 85 -2,-0.1 2,-0.4 -7,-0.0 -32,-0.1 -0.733 29.1-167.0 -84.8 132.5 1.6 67.4 11.9 83 83 A I + 0 0 3 -2,-0.4 -9,-2.9 -9,-0.4 2,-0.4 -0.981 14.0 174.4-129.8 126.4 0.6 69.6 14.8 84 84 A V B -G 73 0C 52 -2,-0.4 2,-0.7 -11,-0.3 -11,-0.2 -0.991 20.4-147.3-131.1 122.6 1.9 72.9 15.9 85 85 A L - 0 0 1 -13,-2.7 2,-0.2 -2,-0.4 -2,-0.0 -0.815 24.9-166.9 -91.8 118.1 0.4 74.9 18.8 86 86 A T > - 0 0 42 -2,-0.7 4,-1.8 1,-0.1 3,-0.4 -0.648 34.6-117.2-108.3 164.2 0.7 78.5 18.1 87 87 A E H > S+ 0 0 81 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.841 114.5 62.3 -63.9 -35.6 0.3 81.6 20.2 88 88 A E H > S+ 0 0 137 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.878 105.1 46.3 -61.1 -37.7 -2.5 82.6 17.9 89 89 A X H >4 S+ 0 0 31 -3,-0.4 3,-0.7 2,-0.2 -1,-0.2 0.919 114.0 47.0 -68.6 -48.4 -4.4 79.6 19.0 90 90 A I H >< S+ 0 0 1 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.873 105.3 61.7 -61.4 -36.8 -3.7 80.1 22.7 91 91 A E H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 98.4 56.3 -64.9 -27.4 -4.7 83.7 22.4 92 92 A K T << S+ 0 0 109 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.422 87.0 96.6 -88.9 4.5 -8.2 82.8 21.3 93 93 A T S < S- 0 0 7 -3,-1.8 -37,-0.2 -4,-0.1 -34,-0.1 -0.437 90.7 -87.4 -82.5 161.7 -8.9 80.7 24.4 94 94 A P > - 0 0 31 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.333 41.2-105.9 -63.7 164.0 -10.7 82.3 27.3 95 95 A N T 3 S+ 0 0 135 1,-0.3 23,-0.3 -3,-0.1 -2,-0.1 0.791 118.9 55.4 -59.7 -30.3 -8.6 84.1 29.9 96 96 A H T 3 S+ 0 0 115 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.490 78.0 127.9 -85.4 -2.4 -9.0 81.4 32.4 97 97 A C < - 0 0 0 -3,-1.7 21,-0.8 -39,-0.1 2,-0.4 -0.324 46.1-152.2 -64.2 129.8 -7.8 78.6 30.1 98 98 A V E -de 60 118A 29 -39,-1.7 -37,-2.7 19,-0.1 2,-0.5 -0.872 5.0-148.6-109.4 135.4 -5.0 76.5 31.6 99 99 A V E -de 61 119A 0 19,-2.8 21,-2.7 -2,-0.4 2,-0.4 -0.913 15.4-161.6-102.6 127.4 -2.3 74.7 29.7 100 100 A Y E +de 62 120A 18 -39,-3.1 -37,-3.1 -2,-0.5 2,-0.2 -0.938 21.5 147.7-112.0 132.9 -1.1 71.5 31.3 101 101 A S E - e 0 121A 1 19,-2.8 21,-2.8 -2,-0.4 -36,-0.2 -0.810 50.4-121.3-142.3-177.0 2.2 69.7 30.5 102 102 A G S S- 0 0 0 -38,-0.9 21,-2.0 -37,-0.6 22,-0.4 0.848 96.0 -6.5 -91.8 -57.5 4.8 67.6 32.3 103 103 A I S S- 0 0 84 -38,-2.0 -1,-0.5 -39,-0.3 2,-0.2 -0.756 71.7-140.7-127.2 173.1 7.6 70.0 31.5 104 104 A S - 0 0 25 -2,-0.2 2,-0.3 -3,-0.1 3,-0.0 -0.643 8.8-159.4-126.5-176.7 8.0 73.2 29.5 105 105 A N > - 0 0 26 -2,-0.2 4,-2.8 -36,-0.1 5,-0.2 -0.844 42.6 -79.2-150.4-168.2 10.5 74.9 27.3 106 106 A T H > S+ 0 0 95 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.908 124.5 48.5 -69.9 -43.3 11.4 78.3 25.8 107 107 A Y H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.963 117.7 39.9 -60.0 -52.8 8.8 78.3 23.2 108 108 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.919 113.3 53.9 -66.6 -45.1 6.0 77.3 25.5 109 109 A N H X S+ 0 0 72 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.900 112.0 46.7 -58.8 -37.0 7.2 79.5 28.4 110 110 A Q H X S+ 0 0 61 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.844 108.3 53.5 -76.6 -35.0 7.1 82.4 26.0 111 111 A C H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.921 111.9 47.9 -61.6 -37.9 3.7 81.6 24.5 112 112 A X H X>S+ 0 0 13 -4,-2.3 4,-1.4 2,-0.2 5,-1.2 0.884 112.2 48.2 -72.0 -36.8 2.4 81.6 28.1 113 113 A K H <5S+ 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.944 115.6 43.4 -69.3 -46.8 4.1 84.9 29.0 114 114 A K H <5S+ 0 0 151 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 120.6 39.0 -71.6 -34.5 2.9 86.6 25.9 115 115 A T H <5S- 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.644 102.0-131.1 -90.5 -15.6 -0.7 85.4 26.0 116 116 A N T <5 + 0 0 136 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.852 56.2 143.0 65.0 40.1 -0.9 85.6 29.8 117 117 A R < - 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0 0 1 -3,-1.7 23,-0.8 -24,-0.1 2,-0.5 -0.194 46.6-146.7 -60.7 143.1 -3.3 39.0 32.7 824 238 C F E -kl 801 846N 5 -24,-1.7 -22,-2.8 21,-0.1 2,-0.6 -0.953 9.3-160.8-112.5 119.2 0.3 37.9 32.1 825 239 C V E -kl 802 847N 0 21,-2.7 23,-2.5 -2,-0.5 2,-0.6 -0.905 4.2-169.4-104.0 118.8 1.1 34.2 32.8 826 240 C I E -kl 803 848N 0 -24,-2.8 -22,-2.3 -2,-0.6 2,-0.7 -0.942 8.8-158.6-108.3 111.4 4.7 33.4 33.2 827 241 C D E +kl 804 849N 0 21,-3.4 23,-2.4 -2,-0.6 -22,-0.2 -0.846 21.4 168.0-100.0 108.8 5.2 29.6 33.3 828 242 C L + 0 0 31 -24,-2.9 -23,-0.2 -2,-0.7 -1,-0.1 0.523 42.3 112.2 -94.2 -11.7 8.4 28.5 34.9 829 243 C A S S- 0 0 8 -25,-0.6 5,-0.1 -23,-0.2 -23,-0.1 -0.304 81.4 -91.5 -65.1 146.7 7.5 24.8 35.2 830 244 C S S > S- 0 0 72 -25,-0.2 3,-2.7 1,-0.1 -1,-0.1 -0.276 75.9 -38.6 -57.1 142.6 9.5 22.5 33.0 831 245 C K T 3 S+ 0 0 81 1,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 -0.112 135.9 25.7 -40.2 135.0 8.1 21.8 29.5 832 246 C P T 3 S- 0 0 112 0, 0.0 3,-0.5 0, 0.0 -1,-0.4 -0.955 99.3-162.6 -84.0 12.5 5.3 21.4 28.8 833 247 C G < - 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