==== 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 05-JUL-05 2A7N . COMPND 2 MOLECULE: L(+)-MANDELATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR N.SUKUMAR,Y.XU,B.MITRA,F.S.MATHEWS . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0.3 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 . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 0 2 1 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 3 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 4 A N 0 0 166 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 86.3 94.9 73.4 8.9 2 5 A L + 0 0 55 1,-0.1 3,-0.1 6,-0.0 4,-0.0 -0.776 360.0 135.4-117.0 84.3 92.4 73.0 11.8 3 6 A F + 0 0 146 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.480 67.4 8.8-109.8 -5.0 94.6 72.9 14.9 4 7 A N S > S- 0 0 32 -3,-0.2 4,-1.1 1,-0.1 3,-0.4 -0.954 85.1 -84.7-161.3 176.8 92.6 75.2 17.3 5 8 A V H >> S+ 0 0 7 280,-0.4 4,-2.0 -2,-0.3 3,-0.6 0.898 120.7 58.0 -59.2 -43.9 89.4 77.1 17.8 6 9 A E H 3> S+ 0 0 86 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.870 101.3 57.2 -56.0 -37.4 90.6 80.2 15.8 7 10 A D H 3> S+ 0 0 29 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.874 107.5 47.6 -62.6 -35.9 91.1 78.0 12.8 8 11 A Y H > - 0 0 82 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.442 37.6-114.6 -64.7 146.7 76.8 84.3 4.8 18 21 A K H 3> S+ 0 0 140 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.899 115.8 56.2 -48.5 -47.1 78.2 87.6 6.2 19 22 A M H 3> S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.872 111.7 42.0 -53.9 -42.9 74.8 88.4 7.9 20 23 A V H <> S+ 0 0 16 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.902 112.5 52.8 -73.9 -42.2 74.9 85.1 9.8 21 24 A Y H X S+ 0 0 14 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.927 110.8 48.5 -58.9 -43.6 78.6 85.3 10.6 22 25 A D H X S+ 0 0 8 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.861 107.6 54.5 -64.5 -36.7 78.0 88.8 12.1 23 26 A Y H < S+ 0 0 26 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.915 116.8 39.4 -61.1 -41.0 75.0 87.5 14.0 24 27 A L H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.950 124.8 32.9 -72.6 -54.4 77.3 84.8 15.5 25 28 A E H < S+ 0 0 40 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.760 95.2 109.3 -77.9 -28.6 80.5 86.8 16.1 26 29 A G < - 0 0 1 -4,-2.1 2,-0.2 -5,-0.4 136,-0.1 0.024 44.8-168.1 -55.0 153.8 79.0 90.2 16.9 27 30 A G - 0 0 2 2,-0.2 137,-0.4 134,-0.1 136,-0.3 -0.730 35.6 -67.0-130.7-179.5 79.0 91.9 20.2 28 31 A A S > S- 0 0 1 226,-2.6 3,-2.6 -2,-0.2 5,-0.4 -0.474 84.9 -46.4 -76.3 143.4 77.3 94.9 21.8 29 32 A E T 3 S+ 0 0 89 132,-3.1 -2,-0.2 1,-0.3 134,-0.2 -0.025 131.1 6.6 38.1-114.4 78.1 98.5 20.6 30 33 A D T 3 S- 0 0 97 1,-0.1 -1,-0.3 133,-0.0 -2,-0.1 0.553 91.6-128.7 -74.5 -6.4 81.8 99.1 20.3 31 34 A E <> + 0 0 44 -3,-2.6 4,-1.1 223,-0.1 -2,-0.1 0.794 68.5 133.3 61.7 30.3 82.6 95.4 21.0 32 35 A Y H > + 0 0 153 -4,-0.3 4,-2.2 2,-0.2 5,-0.1 0.760 68.2 62.1 -75.5 -25.4 85.1 96.5 23.7 33 36 A G H > S+ 0 0 2 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.954 100.7 46.1 -65.3 -53.3 83.4 93.8 25.7 34 37 A V H > S+ 0 0 29 220,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.884 114.6 50.4 -58.5 -36.2 84.2 90.8 23.6 35 38 A K H X S+ 0 0 121 -4,-1.1 4,-3.0 1,-0.2 3,-0.4 0.911 110.2 49.0 -67.6 -41.8 87.8 92.0 23.4 36 39 A H H X S+ 0 0 59 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.875 104.2 60.6 -64.4 -37.4 87.9 92.4 27.2 37 40 A N H < S+ 0 0 3 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.829 113.5 37.1 -58.7 -33.5 86.5 88.9 27.5 38 41 A R H >< S+ 0 0 79 -4,-1.1 3,-1.2 -3,-0.4 4,-0.3 0.915 115.9 51.6 -83.4 -49.7 89.6 87.6 25.7 39 42 A D H >< S+ 0 0 71 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.795 94.8 70.5 -59.1 -33.6 92.2 90.0 27.1 40 43 A V G >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.767 85.8 67.8 -60.2 -25.1 91.3 89.3 30.8 41 44 A F G X S+ 0 0 0 -3,-1.2 3,-1.3 1,-0.3 -1,-0.3 0.760 88.3 66.8 -66.7 -21.5 92.8 85.8 30.6 42 45 A Q G < S+ 0 0 102 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.515 79.0 81.8 -76.8 -2.3 96.2 87.4 30.2 43 46 A Q G < S+ 0 0 92 -3,-1.8 310,-3.4 -4,-0.2 2,-0.4 0.534 94.2 51.8 -77.8 -5.5 95.9 88.7 33.8 44 47 A W E < -A 352 0A 24 -3,-1.3 2,-0.3 308,-0.2 308,-0.2 -0.991 64.8-176.2-133.2 140.6 97.0 85.2 34.9 45 48 A R E -A 351 0A 143 306,-2.1 306,-2.5 -2,-0.4 2,-0.3 -0.884 30.4 -99.5-129.1 162.5 100.0 83.1 34.0 46 49 A F E -A 350 0A 59 -2,-0.3 304,-0.2 304,-0.2 303,-0.1 -0.609 18.1-167.7 -90.1 145.2 101.0 79.6 35.0 47 50 A K - 0 0 117 302,-2.5 290,-0.0 -2,-0.3 303,-0.0 -0.851 27.9-149.9-125.7 86.5 103.6 78.5 37.6 48 51 A P - 0 0 51 0, 0.0 2,-0.7 0, 0.0 290,-0.2 -0.160 9.0-130.9 -57.8 151.4 104.0 74.8 36.8 49 52 A K - 0 0 66 288,-2.4 3,-0.4 3,-0.0 2,-0.1 -0.943 31.8-150.9-106.7 110.6 104.9 72.2 39.5 50 53 A R + 0 0 163 -2,-0.7 3,-0.1 1,-0.2 286,-0.0 -0.312 66.2 31.3 -82.6 166.6 107.8 70.2 38.2 51 54 A L S S+ 0 0 186 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.844 80.2 138.9 55.8 38.8 108.8 66.6 38.8 52 55 A V - 0 0 60 -3,-0.4 2,-0.8 283,-0.1 -1,-0.2 -0.937 62.3-113.5-111.3 134.3 105.2 65.5 39.4 53 56 A D + 0 0 110 -2,-0.4 3,-0.2 1,-0.1 -3,-0.0 -0.578 45.8 162.2 -70.3 108.4 104.2 62.2 37.9 54 57 A V + 0 0 32 -2,-0.8 -1,-0.1 1,-0.1 3,-0.1 -0.052 37.3 112.7-118.0 30.3 101.7 63.1 35.2 55 58 A S S S+ 0 0 74 1,-0.2 2,-0.5 280,-0.0 -1,-0.1 0.722 81.5 45.0 -73.2 -22.3 101.8 59.8 33.2 56 59 A R S S+ 0 0 197 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.939 78.6 176.6-125.7 106.1 98.2 59.1 34.3 57 60 A R - 0 0 97 -2,-0.5 2,-0.4 -3,-0.1 284,-0.2 -0.810 13.2-160.9-113.0 153.0 95.9 62.1 33.9 58 61 A S B +b 341 0B 44 282,-2.6 284,-2.7 -2,-0.3 285,-0.3 -0.990 18.8 176.8-137.0 128.1 92.2 62.5 34.5 59 62 A L + 0 0 13 -2,-0.4 -1,-0.1 10,-0.2 9,-0.1 0.386 48.1 123.9-104.1 -2.2 89.8 65.2 33.2 60 63 A Q + 0 0 78 10,-0.1 2,-0.3 11,-0.1 283,-0.3 -0.310 36.3 164.8 -60.0 139.9 86.8 63.5 34.8 61 64 A A E -C 68 0C 10 7,-2.1 7,-2.1 9,-0.1 2,-0.4 -0.993 38.4-113.1-160.2 152.4 84.9 65.7 37.1 62 65 A E E -C 67 0C 124 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.750 24.4-169.2 -90.4 131.8 81.6 66.1 38.9 63 66 A V E > S-C 66 0C 2 3,-2.9 3,-1.6 -2,-0.4 237,-0.0 -0.984 81.4 -12.5-122.1 114.7 79.3 69.0 37.9 64 67 A L T 3 S- 0 0 18 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.860 132.6 -54.3 61.1 35.6 76.5 69.5 40.3 65 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.352 118.2 110.5 82.9 -6.1 77.3 66.2 41.9 66 69 A K E < -C 63 0C 85 -3,-1.6 -3,-2.9 -5,-0.0 -1,-0.2 -0.900 67.0-125.2-109.4 127.3 77.2 64.3 38.6 67 70 A R E +C 62 0C 168 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.386 33.5 169.5 -70.8 139.3 80.3 62.9 36.9 68 71 A Q E -C 61 0C 16 -7,-2.1 -7,-2.1 -2,-0.1 32,-0.2 -0.929 46.8 -99.4-143.1 165.2 81.1 63.8 33.3 69 72 A S S S- 0 0 43 30,-1.7 -10,-0.2 -2,-0.3 31,-0.1 0.783 99.1 -7.1 -57.9 -35.3 84.1 63.3 31.0 70 73 A M S S- 0 0 1 29,-0.3 2,-2.5 2,-0.2 -10,-0.1 -0.975 79.4 -93.1-160.1 155.7 85.5 66.8 31.5 71 74 A P S S+ 0 0 4 0, 0.0 230,-2.5 0, 0.0 2,-0.3 -0.151 89.2 103.8 -67.3 44.4 84.5 70.2 33.1 72 75 A L E -d 301 0D 0 -2,-2.5 2,-0.3 228,-0.2 -2,-0.2 -0.889 43.1-179.5-128.4 158.7 82.9 71.5 29.9 73 76 A L E -d 302 0D 0 228,-1.4 230,-3.1 -2,-0.3 2,-0.8 -0.975 33.9-117.4-149.5 154.5 79.4 72.0 28.5 74 77 A I E -de 303 102D 2 27,-1.9 29,-2.0 -2,-0.3 230,-0.1 -0.896 44.7-139.7 -95.8 114.5 78.0 73.3 25.2 75 78 A G - 0 0 4 228,-2.6 2,-0.4 -2,-0.8 30,-0.1 -0.118 24.4 -79.6 -71.8 170.5 76.1 76.3 26.4 76 79 A P + 0 0 16 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.563 52.3 169.4 -75.3 124.1 72.7 77.5 25.2 77 80 A T - 0 0 28 26,-0.4 3,-0.5 -2,-0.4 28,-0.4 -0.999 26.5-126.7-137.9 134.9 72.7 79.4 21.9 78 81 A A S S+ 0 0 24 -2,-0.4 30,-0.2 1,-0.2 100,-0.0 -0.417 81.2 15.0 -81.6 154.3 69.7 80.5 19.8 79 82 A L > + 0 0 11 28,-1.9 3,-2.0 -2,-0.1 4,-0.4 0.823 63.8 159.6 55.2 41.2 69.1 79.8 16.1 80 83 A N G >> + 0 0 1 -3,-0.5 4,-1.5 1,-0.3 3,-1.5 0.791 68.6 69.5 -60.9 -26.6 71.7 77.1 15.8 81 84 A G G 34 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.676 89.1 62.5 -65.9 -16.8 69.8 76.0 12.7 82 85 A A G <4 S+ 0 0 12 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.698 105.7 46.2 -80.0 -19.5 71.0 79.1 11.0 83 86 A L T <4 S- 0 0 8 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.798 132.6 -8.2 -90.2 -34.3 74.6 78.0 11.3 84 87 A W S >< S- 0 0 92 -4,-1.5 3,-1.9 230,-0.1 -1,-0.4 -0.948 86.9 -83.4-163.3 141.0 74.1 74.4 10.2 85 88 A P T 3 S+ 0 0 94 0, 0.0 5,-0.2 0, 0.0 -3,-0.1 -0.217 116.7 0.7 -50.4 131.9 71.1 72.2 9.3 86 89 A K T >> S+ 0 0 152 -5,-0.1 4,-2.1 1,-0.1 3,-0.8 0.845 85.9 168.4 54.2 35.7 69.6 70.6 12.4 87 90 A G H <> + 0 0 0 -3,-1.9 4,-2.3 1,-0.3 5,-0.2 0.816 66.9 57.5 -47.0 -41.8 72.3 72.5 14.3 88 91 A D H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.905 109.6 44.6 -59.7 -42.4 70.8 71.8 17.7 89 92 A L H <> S+ 0 0 7 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.891 110.2 54.4 -69.4 -40.7 70.9 68.1 17.1 90 93 A A H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.928 112.5 44.0 -58.9 -45.3 74.5 68.2 15.8 91 94 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.939 113.6 50.2 -64.9 -48.7 75.7 70.0 18.9 92 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 112.3 46.9 -57.6 -45.1 73.7 67.7 21.3 93 96 A R H X S+ 0 0 98 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.865 112.1 49.8 -68.0 -35.2 75.1 64.6 19.7 94 97 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.892 111.7 48.9 -69.3 -39.1 78.7 65.9 19.7 95 98 A A H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.8 0.923 112.1 48.9 -64.6 -43.9 78.3 66.8 23.4 96 99 A T H ><5S+ 0 0 42 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.898 109.9 50.7 -63.4 -41.6 76.9 63.4 24.2 97 100 A K H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.3 49.8 -65.4 -30.3 79.7 61.6 22.3 98 101 A A H 3<5S- 0 0 21 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.596 117.3-115.7 -83.4 -11.8 82.2 63.7 24.3 99 102 A G T <<5S+ 0 0 26 -4,-0.8 -30,-1.7 -3,-0.7 -29,-0.3 0.724 76.3 112.2 85.1 23.2 80.5 62.8 27.5 100 103 A I < - 0 0 3 -5,-2.7 -1,-0.3 -32,-0.2 22,-0.2 -0.869 68.2 -93.3-127.0 160.7 79.3 66.3 28.5 101 104 A P - 0 0 1 0, 0.0 -27,-1.9 0, 0.0 2,-0.4 -0.239 26.1-149.6 -70.5 158.5 76.0 68.1 28.8 102 105 A F E -ef 74 123D 1 20,-1.9 22,-3.0 -29,-0.2 2,-0.6 -0.994 8.5-147.3-127.5 134.1 74.2 70.1 26.1 103 106 A V E - f 0 124D 1 -29,-2.0 -26,-0.4 -2,-0.4 2,-0.4 -0.918 10.3-145.6-108.4 120.7 72.0 73.0 27.0 104 107 A L E - f 0 125D 0 20,-2.9 22,-3.3 -2,-0.6 2,-0.1 -0.688 16.1-130.5 -86.3 133.2 69.0 73.7 24.7 105 108 A S > - 0 0 2 -28,-0.4 3,-1.3 -2,-0.4 22,-0.1 -0.468 12.8-127.8 -80.2 151.3 68.0 77.3 24.2 106 109 A T T 3 S+ 0 0 2 1,-0.3 74,-0.4 20,-0.2 -1,-0.1 0.851 115.4 51.9 -64.3 -31.6 64.4 78.5 24.6 107 110 A A T 3 S+ 0 0 17 72,-0.1 -28,-1.9 73,-0.1 -1,-0.3 -0.154 85.7 137.7 -97.3 37.5 64.9 80.0 21.1 108 111 A S < - 0 0 0 -3,-1.3 71,-0.7 -30,-0.2 72,-0.5 -0.264 58.7-131.9 -77.2 168.9 66.2 76.8 19.5 109 112 A N S S+ 0 0 25 69,-0.2 2,-0.4 70,-0.1 -1,-0.1 0.596 93.7 60.5 -96.2 -16.0 65.2 75.5 16.1 110 113 A M S S- 0 0 24 68,-0.0 70,-0.1 69,-0.0 -2,-0.1 -0.940 93.6-114.1-112.5 135.0 64.5 72.0 17.3 111 114 A S > - 0 0 6 -2,-0.4 4,-2.2 68,-0.1 5,-0.2 -0.190 21.7-111.2 -67.5 159.3 61.8 71.6 20.0 112 115 A I H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.906 118.1 44.3 -53.2 -47.4 62.4 70.4 23.5 113 116 A E H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.899 109.7 53.6 -68.9 -43.8 60.5 67.1 22.8 114 117 A D H > S+ 0 0 50 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.909 110.6 46.7 -60.2 -43.3 62.1 66.3 19.5 115 118 A L H >X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.6 0.950 110.1 51.7 -64.1 -49.1 65.7 66.7 20.8 116 119 A A H 3< S+ 0 0 24 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.5 51.3 -57.0 -31.2 65.0 64.5 23.9 117 120 A R H 3< S+ 0 0 165 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.808 116.7 38.2 -76.8 -30.2 63.6 61.9 21.5 118 121 A Q H << S+ 0 0 64 -4,-1.4 2,-0.4 -3,-0.6 -2,-0.2 0.441 116.7 50.5-101.3 -1.4 66.6 61.9 19.3 119 122 A C < - 0 0 10 -4,-1.4 -1,-0.2 -5,-0.1 4,-0.1 -0.971 50.2-172.9-142.6 125.2 69.4 62.3 21.9 120 123 A D + 0 0 154 -2,-0.4 -4,-0.1 -3,-0.1 -1,-0.1 0.098 54.6 109.3-102.0 21.8 70.0 60.3 25.1 121 124 A G S S- 0 0 23 1,-0.1 2,-1.0 -21,-0.0 -2,-0.1 -0.111 89.8 -67.8 -83.2-171.6 72.8 62.4 26.4 122 125 A D - 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