==== 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 28-JUN-96 1DRW . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.G.REDDY,G.SCAPIN,J.S.BLANCHARD . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 1 0 0 0 0 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 1 0 0 1 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 . 0 0 0 0 0 0 1 0 1 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 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 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 2 A H 0 0 42 0, 0.0 30,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -32.9 20.2 -10.9 18.2 2 3 A D + 0 0 72 28,-0.9 27,-0.5 3,-0.2 2,-0.3 0.522 360.0 103.4 80.3 105.4 17.7 -12.1 15.7 3 4 A A S S- 0 0 33 26,-0.2 2,-2.8 2,-0.1 28,-0.3 -0.931 75.6 -33.8 171.8 178.3 14.2 -12.1 17.4 4 5 A N S S+ 0 0 162 -2,-0.3 2,-0.2 26,-0.2 26,-0.1 -0.243 112.1 46.9 -65.0 59.9 10.8 -10.5 17.9 5 6 A I S S- 0 0 19 -2,-2.8 26,-3.0 69,-0.0 2,-0.4 -0.527 71.9-150.7 167.4 121.6 11.7 -6.8 17.5 6 7 A R E -a 31 0A 15 24,-0.2 67,-3.5 -2,-0.2 68,-2.1 -0.928 15.0-163.4-112.0 142.9 13.7 -5.4 14.8 7 8 A V E -ab 32 74A 5 24,-2.2 26,-2.8 -2,-0.4 27,-1.4 -0.965 18.3-154.2-138.5 151.1 15.9 -2.3 14.9 8 9 A A E -ab 34 75A 0 66,-2.3 68,-2.5 -2,-0.4 2,-0.7 -0.888 16.2-146.4-127.4 141.1 17.7 0.2 13.0 9 10 A I E - b 0 76A 0 25,-2.2 3,-0.7 -2,-0.4 68,-0.2 -0.920 8.8-156.2-116.1 106.1 20.7 2.0 14.4 10 11 A A S S+ 0 0 3 66,-1.9 2,-3.3 -2,-0.7 -1,-0.2 0.931 80.5 37.7 -41.0-100.9 21.0 5.6 13.2 11 12 A G S > S- 0 0 11 1,-0.2 3,-3.4 65,-0.1 6,-0.6 -0.098 73.4-178.8 -72.6 58.5 24.6 6.8 13.4 12 13 A A T 3 S+ 0 0 10 -2,-3.3 -1,-0.2 24,-1.2 9,-0.1 0.443 75.5 36.1 -31.6 -34.9 26.2 3.5 12.3 13 14 A G T 3 S+ 0 0 35 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.219 93.1 117.6-109.1 12.4 30.0 4.4 12.5 14 15 A G S <> S- 0 0 26 -3,-3.4 4,-3.3 1,-0.1 5,-0.2 -0.287 83.0-113.8 -63.1 154.5 29.5 6.6 15.6 15 16 A R H > S+ 0 0 187 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.989 126.9 44.4 -60.5 -42.6 31.2 5.6 18.8 16 17 A M H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.933 111.2 51.2 -61.8 -51.1 27.7 5.1 19.8 17 18 A G H > S+ 0 0 1 -6,-0.6 4,-1.9 61,-0.3 -1,-0.2 0.916 105.9 56.4 -53.4 -46.8 26.5 3.2 16.6 18 19 A R H X S+ 0 0 12 -4,-3.3 4,-1.2 -7,-0.3 -1,-0.2 0.948 113.4 39.1 -52.9 -48.0 29.4 0.8 16.8 19 20 A Q H X S+ 0 0 45 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.868 109.3 58.3 -72.7 -37.5 28.5 -0.4 20.3 20 21 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.902 103.1 58.4 -59.2 -30.3 24.7 -0.4 19.8 21 22 A I H X S+ 0 0 5 -4,-1.9 4,-3.3 -5,-0.3 3,-0.5 0.974 105.1 46.7 -65.1 -46.1 25.3 -2.8 17.0 22 23 A Q H X S+ 0 0 67 -4,-1.2 4,-2.7 1,-0.3 -1,-0.2 0.935 114.2 48.9 -65.3 -34.4 27.0 -5.3 19.2 23 24 A A H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 -1,-0.3 0.771 109.5 50.3 -71.1 -37.1 24.2 -4.9 21.7 24 25 A A H < S+ 0 0 0 -4,-2.5 6,-0.3 -3,-0.5 -1,-0.2 0.954 116.0 44.5 -64.6 -54.4 21.5 -5.3 19.1 25 26 A L H < S+ 0 0 42 -4,-3.3 5,-0.2 -5,-0.2 -2,-0.2 0.919 118.4 43.8 -46.2 -77.7 23.3 -8.4 18.1 26 27 A A H < S+ 0 0 79 -4,-2.7 2,-0.4 -25,-0.1 -2,-0.2 0.630 92.5 87.7 -32.7 -62.3 23.9 -9.6 21.7 27 28 A L S >< S- 0 0 33 -4,-3.0 3,-1.4 -5,-0.1 -25,-0.2 -0.336 78.4-118.9 -70.9 121.3 20.6 -9.0 23.3 28 29 A E T 3 S+ 0 0 164 -2,-0.4 -25,-0.1 1,-0.2 -1,-0.1 -0.134 93.0 22.0 -46.9 131.2 17.9 -11.7 23.2 29 30 A G T 3 S+ 0 0 19 -27,-0.5 2,-0.4 1,-0.4 -1,-0.2 0.504 102.7 91.2 96.5 -5.4 14.6 -10.8 21.5 30 31 A V < - 0 0 4 -3,-1.4 -28,-0.9 -6,-0.3 2,-0.4 -0.981 55.6-163.2-115.0 154.7 15.9 -7.9 19.4 31 32 A Q E -a 6 0A 85 -26,-3.0 -24,-2.2 -2,-0.4 2,-0.6 -0.981 32.7-101.4-137.2 141.2 17.2 -8.3 15.9 32 33 A L E +a 7 0A 9 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.462 41.1 177.3 -63.7 105.6 19.3 -5.9 13.8 33 34 A G E - 0 0 9 -26,-2.8 -25,-0.3 -2,-0.6 2,-0.3 0.976 58.0 -23.4 -71.7 -64.0 16.8 -4.2 11.5 34 35 A A E -a 8 0A 2 -27,-1.4 -25,-2.2 25,-0.1 -1,-0.3 -0.972 46.0-143.7-146.2 166.1 18.9 -1.7 9.6 35 36 A A B -f 61 0B 1 25,-0.7 27,-0.9 -2,-0.3 -25,-0.1 -0.588 27.6-178.0-141.0 76.7 22.1 0.2 10.0 36 37 A L + 0 0 6 25,-0.3 -24,-1.2 -2,-0.3 2,-0.3 0.086 4.8 168.9 -63.1 174.6 21.9 3.7 8.5 37 38 A E - 0 0 48 -26,-0.2 -26,-0.1 -25,-0.1 -1,-0.0 -0.950 42.4 -57.2-174.9 171.9 24.6 6.3 8.3 38 39 A R > - 0 0 186 -2,-0.3 3,-1.2 1,-0.1 6,-0.2 -0.343 46.9-120.4 -56.9 152.4 25.4 9.6 6.7 39 40 A E T 3 S+ 0 0 160 1,-0.2 5,-0.1 24,-0.2 -1,-0.1 0.978 112.5 56.2 -56.2 -60.2 25.3 9.9 2.9 40 41 A G T 3 S+ 0 0 85 23,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.470 87.1 135.1 -52.9 0.0 29.0 10.9 2.6 41 42 A S < - 0 0 27 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.150 51.4-157.3 -57.8 150.2 29.8 7.7 4.5 42 43 A S S S+ 0 0 116 1,-0.2 4,-0.2 3,-0.0 -1,-0.1 0.741 95.7 60.8 -96.6 -20.8 32.5 5.3 3.4 43 44 A L S > S+ 0 0 63 3,-0.1 4,-0.8 2,-0.1 18,-0.3 0.705 84.7 133.7 -88.7 -8.7 30.9 2.5 5.3 44 45 A L T 4 S- 0 0 36 1,-0.2 2,-5.5 -6,-0.2 18,-0.2 0.235 72.1 -15.7 -49.3 148.0 27.8 2.9 3.1 45 46 A G T 4 S+ 0 0 36 16,-1.2 -1,-0.2 1,-0.2 17,-0.1 -0.009 121.3 79.8 58.9 -41.7 25.8 0.2 1.4 46 47 A S T 4 S+ 0 0 65 -2,-5.5 -1,-0.2 -3,-0.2 -2,-0.1 0.932 78.6 61.1 -53.5 -87.9 28.7 -2.1 1.9 47 48 A D < - 0 0 45 -4,-0.8 2,-0.3 13,-0.2 11,-0.3 0.805 41.5-166.4 -33.5-148.9 28.6 -3.4 5.5 48 49 A A S S- 0 0 10 9,-0.1 2,-0.8 8,-0.1 8,-0.1 -0.910 73.5 -42.0-172.3-130.8 26.8 -5.4 8.2 49 50 A G S S+ 0 0 1 -2,-0.3 -31,-0.0 6,-0.3 11,-0.0 -0.948 86.6 127.7-119.0 92.8 27.8 -5.3 11.8 50 51 A E + 0 0 74 -2,-0.8 4,-0.2 4,-0.1 -1,-0.1 -0.164 63.8 64.3-143.0 31.9 31.5 -5.4 11.5 51 52 A L S S+ 0 0 97 2,-0.2 3,-0.1 -33,-0.2 -2,-0.1 0.271 101.0 55.1-110.3 -25.8 32.4 -2.5 13.5 52 53 A A S S- 0 0 9 1,-0.4 -3,-0.1 3,-0.1 -33,-0.0 -0.033 117.7-130.0 -85.2 33.6 30.9 -4.6 16.2 53 54 A G S S+ 0 0 45 1,-0.2 -1,-0.4 2,-0.0 -2,-0.2 -0.370 71.0 127.9 48.3-112.8 33.5 -7.0 14.9 54 55 A A - 0 0 65 -4,-0.2 -5,-0.2 -3,-0.1 -1,-0.2 0.646 63.8-132.8 53.5 19.9 31.0 -9.8 14.5 55 56 A G + 0 0 28 -7,-0.1 2,-0.4 2,-0.1 -6,-0.3 -0.024 69.2 9.1 41.1-128.7 31.9 -10.6 10.8 56 57 A K + 0 0 175 1,-0.1 -8,-0.1 -8,-0.1 -6,-0.1 -0.732 56.2 164.5 -91.6 125.4 29.0 -10.9 8.4 57 58 A T - 0 0 43 -2,-0.4 -1,-0.1 2,-0.3 -9,-0.1 0.592 45.0-124.8-116.1 -17.6 25.5 -10.0 9.6 58 59 A G S S+ 0 0 81 1,-0.3 2,-0.4 -11,-0.3 -10,-0.1 0.392 78.3 103.0 90.8 -4.4 23.4 -9.7 6.4 59 60 A V - 0 0 24 -25,-0.0 2,-0.4 -10,-0.0 -1,-0.3 -0.889 60.9-147.6-116.1 134.1 22.2 -6.1 7.1 60 61 A T - 0 0 49 -2,-0.4 -25,-0.7 -3,-0.1 -13,-0.2 -0.906 15.7-112.3-117.7 133.6 23.9 -3.5 5.2 61 62 A V B +f 35 0B 4 -2,-0.4 -16,-1.2 -18,-0.3 -25,-0.3 -0.423 46.9 169.9 -61.1 153.4 24.5 0.1 6.2 62 63 A Q - 0 0 53 -27,-0.9 -21,-0.1 -18,-0.2 -1,-0.1 -0.116 41.2-134.3-142.1-147.9 22.6 2.7 4.2 63 64 A S S S+ 0 0 46 1,-0.3 2,-0.5 -27,-0.1 -24,-0.2 0.349 74.9 78.8-163.9 -11.8 21.5 6.2 3.8 64 65 A S > - 0 0 41 1,-0.2 4,-1.1 -25,-0.1 -1,-0.3 -0.927 51.9-160.2-115.9 134.0 17.8 6.2 3.1 65 66 A L H >> S+ 0 0 26 -2,-0.5 4,-2.0 1,-0.2 3,-0.6 0.890 101.9 51.0 -68.4 -38.3 15.1 5.8 5.5 66 67 A D H 34 S+ 0 0 109 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.937 99.5 65.4 -64.7 -44.3 12.8 4.8 2.6 67 68 A A H 34 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.843 126.4 9.6 -43.9 -34.7 15.4 2.3 1.4 68 69 A V H X< S+ 0 0 5 -4,-1.1 3,-5.3 -3,-0.6 4,-0.3 0.395 82.5 121.5-133.0 2.3 14.8 0.4 4.6 69 70 A K G >< S+ 0 0 75 -4,-2.0 3,-0.5 1,-0.3 -3,-0.1 0.750 84.8 54.3 -47.9 -16.0 11.8 1.8 6.4 70 71 A D G 3 S+ 0 0 84 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.362 93.8 71.8 -94.7 -5.2 10.4 -1.7 6.0 71 72 A D G < S+ 0 0 90 -3,-5.3 2,-0.3 2,-0.0 -1,-0.2 0.345 98.6 27.2-103.8 17.1 13.3 -3.4 7.6 72 73 A F < - 0 0 4 -3,-0.5 -65,-0.3 -4,-0.3 3,-0.1 -0.948 51.1-148.4-166.5 165.5 12.9 -2.5 11.3 73 74 A D S S+ 0 0 102 -67,-3.5 24,-1.5 1,-0.3 2,-0.4 0.687 81.2 43.0-112.6 -43.4 10.4 -1.5 14.0 74 75 A V E -bc 7 97A 14 -68,-2.1 -66,-2.3 22,-0.2 2,-0.7 -0.864 69.7-140.6-117.4 136.5 12.2 0.7 16.4 75 76 A F E -bc 8 98A 0 22,-4.5 24,-3.3 -2,-0.4 2,-0.8 -0.916 11.9-164.2-100.6 112.1 14.5 3.6 15.6 76 77 A I E -bc 9 99A 1 -68,-2.5 -66,-1.9 -2,-0.7 2,-0.6 -0.820 11.3-172.9 -96.3 119.1 17.5 3.9 17.7 77 78 A D E + c 0 100A 0 22,-1.9 24,-1.9 -2,-0.8 25,-1.8 -0.846 26.9 155.3-123.2 106.8 19.1 7.3 17.3 78 79 A F + 0 0 32 -2,-0.6 -61,-0.3 23,-0.2 -62,-0.1 -0.756 51.0 106.4-121.6 83.9 22.4 8.5 18.9 79 80 A T S S- 0 0 35 -2,-0.5 24,-0.2 1,-0.1 -63,-0.1 0.467 77.0 -57.4-127.4-109.7 23.2 11.1 16.3 80 81 A R > - 0 0 142 22,-0.1 4,-1.7 1,-0.0 3,-0.3 -0.933 50.9-106.6-149.6 148.1 23.2 15.0 16.2 81 82 A P H > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 23,-0.1 0.819 117.8 59.2 -50.4 -36.7 20.1 17.0 17.0 82 83 A E H > S+ 0 0 125 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.948 108.1 43.3 -51.5 -57.0 19.8 17.9 13.2 83 84 A G H > S+ 0 0 13 -3,-0.3 4,-3.2 1,-0.2 5,-0.3 0.860 108.7 58.3 -60.8 -39.2 19.5 14.2 12.1 84 85 A T H X S+ 0 0 0 -4,-1.7 4,-4.6 1,-0.2 -1,-0.2 0.959 102.1 53.5 -63.3 -49.8 17.1 13.3 14.9 85 86 A L H X S+ 0 0 61 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.903 112.7 44.3 -48.5 -35.6 14.6 15.8 13.8 86 87 A N H X S+ 0 0 113 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.968 117.3 45.2 -72.2 -54.8 14.7 14.3 10.2 87 88 A H H X S+ 0 0 28 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.871 111.6 56.2 -46.7 -50.4 14.5 10.9 11.6 88 89 A L H X S+ 0 0 11 -4,-4.6 4,-2.9 -5,-0.3 5,-0.3 0.973 107.2 45.0 -47.8 -69.3 11.8 12.2 13.9 89 90 A A H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.825 114.7 50.1 -52.8 -32.8 9.5 13.4 11.2 90 91 A F H X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.969 111.5 46.3 -68.8 -52.4 10.0 10.3 9.2 91 92 A C H <>S+ 0 0 0 -4,-3.0 5,-3.6 1,-0.2 4,-0.3 0.885 110.4 53.1 -60.6 -41.1 9.3 7.9 12.2 92 93 A R H ><5S+ 0 0 81 -4,-2.9 3,-0.9 3,-0.2 -1,-0.2 0.936 110.5 52.0 -53.9 -47.0 6.2 9.9 13.2 93 94 A Q H 3<5S+ 0 0 66 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.969 119.0 30.2 -51.5 -69.7 5.1 9.5 9.6 94 95 A H T 3<5S- 0 0 85 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.174 113.5-113.0 -80.9 12.2 5.5 5.7 9.4 95 96 A G T < 5 + 0 0 25 -3,-0.9 2,-0.4 -4,-0.3 -3,-0.2 0.904 55.8 170.8 57.5 42.2 4.7 5.4 13.0 96 97 A K < - 0 0 32 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.733 30.8-127.6 -84.1 133.4 8.2 4.2 13.8 97 98 A G E -c 74 0A 9 -24,-1.5 -22,-4.5 -2,-0.4 2,-0.4 -0.593 30.0-156.1 -79.6 140.0 9.1 3.9 17.5 98 99 A M E -cd 75 122A 0 23,-1.7 25,-2.4 -2,-0.3 2,-0.5 -0.902 25.9-160.9-122.8 166.7 12.2 5.6 18.6 99 100 A V E -cd 76 123A 0 -24,-3.3 -22,-1.9 -2,-0.4 2,-0.6 -0.947 22.2-165.3-139.6 99.5 14.8 5.6 21.2 100 101 A I E +cd 77 124A 0 23,-2.4 25,-1.8 -2,-0.5 -22,-0.2 -0.853 27.9 155.5 -97.1 121.3 16.6 8.9 21.2 101 102 A G + 0 0 8 -24,-1.9 -23,-0.2 -2,-0.6 -1,-0.1 0.577 39.8 122.2-118.6 -8.1 19.9 9.2 23.1 102 103 A T - 0 0 6 -25,-1.8 2,-0.3 -22,-0.1 3,-0.2 -0.117 49.2-155.2 -47.6 139.3 21.1 12.1 21.1 103 104 A T + 0 0 77 -24,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.824 55.0 56.8-122.2 159.9 21.8 15.2 23.2 104 105 A G + 0 0 67 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.594 56.3 153.3 101.6 13.9 21.9 18.9 22.8 105 106 A F - 0 0 16 -3,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.198 36.3-136.0 -63.6 152.7 18.4 19.9 21.6 106 107 A D > - 0 0 105 -25,-0.0 4,-2.3 1,-0.0 5,-0.2 -0.363 42.9 -79.8 -93.4-165.7 17.2 23.4 22.4 107 108 A E H > S+ 0 0 162 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.859 132.1 53.2 -63.4 -39.8 13.7 24.0 23.6 108 109 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 108.0 50.0 -62.6 -44.3 12.3 23.8 20.1 109 110 A G H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.942 111.4 48.6 -61.2 -49.4 13.9 20.4 19.5 110 111 A K H X S+ 0 0 82 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.972 110.2 51.6 -54.2 -53.6 12.6 19.0 22.7 111 112 A Q H X S+ 0 0 143 -4,-2.6 4,-3.6 2,-0.2 5,-0.2 0.887 105.6 55.0 -51.4 -38.8 9.1 20.3 22.0 112 113 A A H X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.988 110.9 47.0 -58.5 -43.3 9.2 18.6 18.6 113 114 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.3 -2,-0.2 0.855 110.1 50.1 -68.8 -38.5 10.0 15.4 20.5 114 115 A R H < S+ 0 0 143 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.947 113.1 50.5 -65.4 -38.1 7.2 15.9 23.0 115 116 A D H >< S+ 0 0 94 -4,-3.6 3,-1.1 1,-0.3 4,-0.4 0.829 104.3 52.4 -68.4 -48.5 5.0 16.5 20.1 116 117 A A H >X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 3,-2.2 0.796 95.9 71.3 -55.8 -36.0 5.8 13.5 18.0 117 118 A A T 3< S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.734 81.5 75.1 -52.9 -32.4 5.1 11.3 21.1 118 119 A A T <4 S+ 0 0 71 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.848 117.7 15.1 -44.0 -38.1 1.5 12.1 20.6 119 120 A D T <4 S+ 0 0 84 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.718 128.5 53.4-116.1 -15.5 1.6 9.8 17.7 120 121 A I S < S- 0 0 0 -4,-2.5 2,-0.6 -5,-0.1 137,-0.1 -0.850 78.3-121.4-129.0 139.8 4.7 7.9 18.2 121 122 A A - 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