==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAR-09 3GIY . COMPND 2 MOLECULE: (S)-MANDELATE DEHYDROGENASE, PEROXISOMAL (S)-2- . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR N.SUKUMAR,A.DEWANTI,A.MERLI,G.L.ROSSI,B.MITRA,F.S.MATHEWS . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 64.9 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 . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 32.6 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 0 163 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 80.2 94.9 73.6 9.0 2 5 A L + 0 0 51 1,-0.1 3,-0.1 6,-0.0 4,-0.0 -0.765 360.0 134.2-117.1 84.4 92.5 73.1 11.8 3 6 A F + 0 0 142 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.411 68.7 11.7-111.0 -2.4 94.6 72.9 14.9 4 7 A N S > S- 0 0 31 -3,-0.2 4,-1.1 1,-0.1 3,-0.4 -0.966 85.7 -86.7-162.2 175.2 92.7 75.2 17.3 5 8 A V H > S+ 0 0 6 280,-0.4 4,-2.0 -2,-0.3 3,-0.4 0.864 120.9 58.1 -60.6 -38.2 89.4 77.2 17.8 6 9 A E H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 101.1 57.0 -60.4 -37.3 90.7 80.2 15.8 7 10 A D H > S+ 0 0 29 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.855 107.7 47.9 -62.1 -35.5 91.2 78.0 12.8 8 11 A Y H X S+ 0 0 7 -4,-1.1 4,-2.7 -3,-0.4 -1,-0.2 0.861 107.5 54.7 -74.4 -34.7 87.6 77.0 12.9 9 12 A R H X S+ 0 0 36 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.955 108.1 50.8 -60.9 -47.7 86.4 80.6 13.3 10 13 A K H X S+ 0 0 100 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.891 112.7 45.0 -55.5 -43.3 88.4 81.4 10.1 11 14 A L H X S+ 0 0 19 -4,-1.5 4,-1.6 1,-0.2 3,-0.2 0.890 111.2 53.5 -69.3 -39.4 86.7 78.5 8.2 12 15 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.860 106.3 53.2 -63.0 -36.6 83.3 79.4 9.6 13 16 A Q H < S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 109.0 49.6 -70.0 -28.2 83.7 83.0 8.3 14 17 A K H < S+ 0 0 166 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.791 117.9 39.2 -79.6 -27.6 84.5 81.7 4.8 15 18 A R H < S+ 0 0 144 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.747 102.0 76.7 -95.3 -25.1 81.5 79.4 4.8 16 19 A L S < S- 0 0 19 -4,-2.3 67,-0.1 -5,-0.2 2,-0.0 -0.567 87.1-105.9 -89.5 148.8 78.8 81.5 6.4 17 20 A P >> - 0 0 83 0, 0.0 4,-2.8 0, 0.0 3,-0.5 -0.441 37.7-113.3 -65.9 149.1 76.9 84.4 4.8 18 21 A K H 3> S+ 0 0 141 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.853 116.4 55.0 -52.4 -40.0 78.3 87.7 6.2 19 22 A M H 3> S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 112.4 42.3 -62.7 -39.7 74.9 88.4 7.9 20 23 A V H <> S+ 0 0 16 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.897 113.1 52.3 -74.5 -40.9 75.0 85.1 9.7 21 24 A Y H X S+ 0 0 14 -4,-2.8 4,-3.1 1,-0.2 5,-0.4 0.919 111.0 48.3 -60.6 -42.2 78.7 85.4 10.6 22 25 A D H X S+ 0 0 9 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.828 107.0 55.7 -67.6 -31.9 78.0 88.8 12.0 23 26 A Y H < S+ 0 0 26 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.894 116.7 37.7 -65.2 -38.5 75.0 87.5 14.0 24 27 A L H < S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.941 125.7 33.5 -77.0 -52.6 77.4 84.9 15.6 25 28 A E H < S+ 0 0 39 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.774 96.0 105.4 -78.1 -30.0 80.6 86.8 16.0 26 29 A G < - 0 0 1 -4,-1.8 2,-0.2 -5,-0.4 136,-0.1 -0.027 46.7-169.5 -56.6 154.0 79.1 90.2 16.8 27 30 A G - 0 0 1 2,-0.2 137,-0.4 134,-0.1 228,-0.3 -0.702 35.6 -64.4-130.6-176.9 78.9 91.9 20.2 28 31 A A S > S- 0 0 1 226,-2.6 3,-2.5 -2,-0.2 5,-0.4 -0.480 85.1 -45.8 -77.8 144.3 77.2 94.9 21.7 29 32 A E T 3 S+ 0 0 93 132,-3.3 -2,-0.2 1,-0.3 134,-0.2 -0.018 130.1 5.8 38.7-113.0 78.0 98.4 20.6 30 33 A D T 3 S- 0 0 96 1,-0.1 -1,-0.3 133,-0.0 -2,-0.1 0.588 90.7-128.6 -76.7 -8.3 81.8 99.1 20.3 31 34 A E <> + 0 0 45 -3,-2.5 4,-1.0 223,-0.1 -2,-0.1 0.824 68.9 132.1 63.2 34.1 82.7 95.4 21.0 32 35 A Y H > + 0 0 152 -4,-0.3 4,-2.3 2,-0.2 5,-0.1 0.733 68.6 62.2 -80.6 -23.9 85.2 96.4 23.7 33 36 A G H > S+ 0 0 2 -5,-0.4 4,-2.7 2,-0.2 5,-0.2 0.940 102.1 44.5 -67.0 -50.6 83.4 93.8 25.8 34 37 A V H > S+ 0 0 29 220,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.900 115.2 50.5 -62.7 -37.9 84.3 90.8 23.6 35 38 A K H X S+ 0 0 119 -4,-1.0 4,-2.9 1,-0.2 3,-0.3 0.917 111.6 47.8 -65.0 -41.9 87.8 92.1 23.3 36 39 A H H X S+ 0 0 58 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.891 104.2 60.2 -65.0 -40.4 88.0 92.4 27.1 37 40 A N H < S+ 0 0 4 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.839 114.0 37.9 -55.7 -35.0 86.6 88.9 27.6 38 41 A R H >< S+ 0 0 77 -4,-1.3 3,-1.3 -3,-0.3 4,-0.3 0.928 115.7 51.0 -80.9 -51.3 89.6 87.7 25.7 39 42 A D H >< S+ 0 0 72 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.809 95.0 71.0 -57.1 -36.4 92.2 90.0 27.1 40 43 A V G >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.755 85.4 67.5 -58.0 -24.9 91.3 89.4 30.7 41 44 A F G X S+ 0 0 0 -3,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.736 88.0 68.2 -67.7 -19.5 92.8 85.9 30.6 42 45 A Q G < S+ 0 0 102 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.523 78.4 79.8 -77.4 -3.9 96.3 87.5 30.2 43 46 A Q G < S+ 0 0 89 -3,-1.6 310,-3.4 -4,-0.2 2,-0.4 0.505 94.7 55.3 -78.5 -4.7 96.0 88.7 33.8 44 47 A W E < -A 352 0A 19 -3,-1.2 2,-0.3 308,-0.2 308,-0.2 -0.988 63.2-179.8-131.8 139.5 97.0 85.2 34.8 45 48 A R E -A 351 0A 145 306,-2.0 306,-1.9 -2,-0.4 2,-0.3 -0.895 31.3 -99.5-131.4 161.8 100.1 83.1 33.9 46 49 A F E -A 350 0A 60 -2,-0.3 304,-0.2 304,-0.2 303,-0.1 -0.612 17.4-167.2 -90.3 145.3 101.1 79.6 34.9 47 50 A K - 0 0 115 302,-2.5 290,-0.1 -2,-0.3 303,-0.0 -0.810 28.4-150.4-125.4 81.6 103.6 78.5 37.6 48 51 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 290,-0.2 -0.123 9.2-130.7 -54.1 148.3 104.1 74.8 36.7 49 52 A K - 0 0 65 288,-2.3 3,-0.4 3,-0.0 2,-0.0 -0.929 31.8-151.7-105.7 108.5 105.0 72.3 39.4 50 53 A R + 0 0 170 -2,-0.7 3,-0.1 1,-0.2 286,-0.0 -0.242 66.0 32.6 -78.9 167.8 107.9 70.3 38.1 51 54 A L S S+ 0 0 184 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.834 80.9 137.4 53.7 39.7 109.0 66.7 38.8 52 55 A V - 0 0 61 -3,-0.4 2,-0.8 283,-0.1 -1,-0.2 -0.928 62.5-113.6-112.6 136.5 105.4 65.5 39.3 53 56 A D + 0 0 108 -2,-0.4 3,-0.2 1,-0.1 -3,-0.0 -0.617 45.3 161.5 -74.1 108.7 104.3 62.2 37.8 54 57 A V + 0 0 32 -2,-0.8 3,-0.2 1,-0.1 -1,-0.1 -0.037 37.7 112.6-117.3 28.8 101.8 63.1 35.1 55 58 A S S S+ 0 0 70 1,-0.3 2,-0.4 280,-0.0 -1,-0.1 0.685 82.6 44.5 -73.0 -18.3 102.0 59.9 33.2 56 59 A R S S+ 0 0 192 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.883 78.6 174.5-131.0 99.5 98.4 59.2 34.3 57 60 A R - 0 0 94 -2,-0.4 2,-0.4 -3,-0.2 284,-0.2 -0.766 14.5-158.8-108.6 152.6 96.1 62.2 34.0 58 61 A S B +b 341 0B 42 282,-2.9 284,-2.9 -2,-0.3 285,-0.2 -0.993 18.8 175.8-134.6 128.2 92.3 62.5 34.5 59 62 A L + 0 0 13 -2,-0.4 -1,-0.1 10,-0.2 9,-0.1 0.405 49.1 120.8-104.4 -4.1 89.9 65.2 33.2 60 63 A Q + 0 0 79 10,-0.2 2,-0.3 11,-0.1 283,-0.3 -0.289 37.5 160.3 -60.9 144.0 86.9 63.5 34.7 61 64 A A E -C 68 0C 10 7,-2.1 7,-2.1 9,-0.1 2,-0.4 -0.992 40.0-107.5-164.6 159.1 84.9 65.6 37.1 62 65 A E E -C 67 0C 119 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.777 24.3-169.3 -95.2 134.6 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 -2,-0.0 -0.987 82.3 -12.0-124.5 114.8 79.4 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 0.827 133.7 -54.0 62.0 31.7 76.5 69.6 40.3 65 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.382 118.2 108.2 86.4 -3.9 77.4 66.2 41.8 66 69 A K E < -C 63 0C 94 -3,-1.6 -3,-2.9 -5,-0.0 -1,-0.2 -0.922 66.8-124.0-113.3 130.9 77.3 64.2 38.6 67 70 A R E +C 62 0C 162 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.385 32.8 168.3 -73.0 143.7 80.4 62.9 36.8 68 71 A Q E -C 61 0C 17 -7,-2.1 -7,-2.1 -2,-0.1 32,-0.2 -0.928 48.1 -97.8-146.2 164.7 81.2 63.8 33.2 69 72 A S S S- 0 0 26 30,-1.7 -10,-0.2 -2,-0.3 31,-0.1 0.813 100.1 -6.1 -57.0 -37.6 84.3 63.3 31.0 70 73 A M S S- 0 0 2 29,-0.3 2,-2.4 2,-0.2 -10,-0.2 -0.980 79.6 -94.2-157.7 155.4 85.6 66.9 31.5 71 74 A P S S+ 0 0 4 0, 0.0 230,-2.3 0, 0.0 2,-0.3 -0.176 88.4 103.3 -68.6 45.8 84.5 70.2 33.1 72 75 A L E -d 301 0D 0 -2,-2.4 2,-0.3 228,-0.2 -2,-0.2 -0.896 43.5-178.6-127.9 157.7 83.0 71.5 29.9 73 76 A L E -d 302 0D 0 228,-1.4 230,-3.1 -2,-0.3 2,-0.9 -0.977 34.3-116.6-149.6 152.2 79.5 72.0 28.5 74 77 A I E -de 303 102D 2 27,-2.1 29,-2.3 -2,-0.3 230,-0.1 -0.867 45.5-141.3 -93.1 112.3 78.1 73.3 25.2 75 78 A G - 0 0 4 228,-2.3 2,-0.3 -2,-0.9 30,-0.1 -0.094 24.5 -76.4 -70.9 171.1 76.1 76.3 26.4 76 79 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.530 53.7 166.6 -72.9 124.5 72.7 77.6 25.3 77 80 A T - 0 0 30 26,-0.4 3,-0.5 -2,-0.3 28,-0.4 -0.999 27.1-128.0-138.9 138.7 72.8 79.5 21.9 78 81 A A S S+ 0 0 23 -2,-0.3 30,-0.2 1,-0.2 4,-0.1 -0.537 79.9 16.9 -90.0 153.7 69.8 80.5 19.8 79 82 A L > + 0 0 11 28,-1.8 3,-2.0 -2,-0.2 4,-0.4 0.820 63.6 156.5 61.0 38.9 69.2 79.9 16.1 80 83 A N G >> + 0 0 1 -3,-0.5 4,-1.5 1,-0.3 3,-1.4 0.785 68.2 68.7 -63.0 -26.0 71.8 77.1 15.7 81 84 A G G 34 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.596 91.5 61.4 -67.9 -11.2 69.9 75.9 12.7 82 85 A A G <4 S+ 0 0 13 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.645 105.6 46.0 -86.8 -18.8 71.0 79.1 10.9 83 86 A L T <4 S- 0 0 9 -3,-1.4 -2,-0.2 -4,-0.4 232,-0.1 0.770 133.1 -7.9 -91.9 -31.3 74.6 78.1 11.3 84 87 A W S >< S- 0 0 93 -4,-1.5 3,-1.8 230,-0.1 -1,-0.4 -0.930 86.9 -82.9-166.1 139.7 74.2 74.5 10.1 85 88 A P T 3 S- 0 0 92 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.215 116.3 -1.7 -49.8 127.8 71.2 72.2 9.3 86 89 A K T >> S+ 0 0 150 -5,-0.1 4,-2.2 3,-0.1 3,-0.6 0.861 85.3 166.6 54.7 38.7 69.8 70.7 12.4 87 90 A G H <> + 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.853 67.0 58.7 -50.6 -42.6 72.5 72.5 14.3 88 91 A D H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 110.2 42.3 -56.0 -44.7 70.8 71.9 17.7 89 92 A L H <> S+ 0 0 7 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.858 111.7 55.2 -71.1 -36.4 71.0 68.1 17.1 90 93 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.941 112.6 43.0 -60.7 -47.3 74.6 68.3 15.7 91 94 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.925 114.0 50.6 -63.6 -47.5 75.7 70.1 18.9 92 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.907 112.2 46.8 -58.9 -44.9 73.8 67.8 21.2 93 96 A R H X S+ 0 0 100 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.840 111.7 50.0 -68.8 -33.5 75.2 64.6 19.6 94 97 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.881 111.1 50.0 -71.1 -38.7 78.8 65.9 19.6 95 98 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-1.1 0.938 111.3 48.7 -64.0 -46.9 78.4 66.8 23.3 96 99 A T H <5S+ 0 0 43 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.892 109.2 51.9 -61.1 -41.8 77.0 63.4 24.1 97 100 A K H <5S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.8 48.2 -63.0 -34.1 79.9 61.6 22.2 98 101 A A H <5S- 0 0 24 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.648 117.6-116.0 -80.0 -17.3 82.3 63.7 24.2 99 102 A G T <5S+ 0 0 33 -4,-1.1 -30,-1.7 -3,-0.5 -29,-0.3 0.761 75.1 111.5 88.2 27.0 80.6 62.8 27.5 100 103 A I < - 0 0 4 -5,-2.4 -1,-0.3 -32,-0.2 22,-0.2 -0.891 68.4 -92.4-130.4 160.6 79.4 66.3 28.5 101 104 A P - 0 0 2 0, 0.0 -27,-2.1 0, 0.0 2,-0.4 -0.275 26.6-150.6 -71.5 156.5 76.0 68.1 28.8 102 105 A F E -ef 74 123D 2 20,-1.8 22,-2.7 -29,-0.2 2,-0.6 -0.986 9.8-145.2-125.2 135.8 74.4 70.2 26.0 103 106 A V E - f 0 124D 1 -29,-2.3 -26,-0.4 -2,-0.4 2,-0.4 -0.920 10.4-145.1-109.0 121.5 72.1 73.1 26.9 104 107 A L E - f 0 125D 0 20,-2.8 22,-3.2 -2,-0.6 2,-0.1 -0.676 15.7-130.7 -86.0 133.7 69.1 73.8 24.7 105 108 A S > - 0 0 2 -28,-0.4 3,-1.2 -2,-0.4 22,-0.1 -0.443 12.9-128.7 -80.5 153.9 68.0 77.4 24.1 106 109 A T T 3 S+ 0 0 2 1,-0.3 74,-0.3 20,-0.2 -1,-0.1 0.749 115.9 51.2 -70.6 -21.7 64.5 78.6 24.5 107 110 A A T 3 S+ 0 0 20 73,-0.1 -28,-1.8 72,-0.1 -1,-0.3 -0.160 85.0 135.8-106.4 36.3 65.1 80.0 21.1 108 111 A S < - 0 0 0 -3,-1.2 71,-0.5 -30,-0.2 72,-0.4 -0.317 59.7-130.5 -78.1 166.5 66.4 76.8 19.5 109 112 A N S S+ 0 0 19 69,-0.2 2,-0.4 70,-0.1 -1,-0.1 0.610 93.7 60.1 -93.4 -14.4 65.3 75.6 16.0 110 113 A M S S- 0 0 22 68,-0.1 -2,-0.1 69,-0.0 70,-0.1 -0.948 93.1-113.1-114.3 133.9 64.5 72.1 17.3 111 114 A S > - 0 0 3 -2,-0.4 4,-2.1 68,-0.1 5,-0.3 -0.155 21.6-111.1 -67.3 159.6 61.9 71.6 20.0 112 115 A I H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.911 117.2 45.6 -51.7 -49.3 62.4 70.4 23.5 113 116 A E H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.869 109.7 53.0 -67.0 -41.4 60.6 67.1 22.9 114 117 A D H > S+ 0 0 45 2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.905 109.5 47.0 -64.4 -43.5 62.3 66.3 19.5 115 118 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.904 110.4 53.6 -64.8 -39.9 65.8 66.7 20.8 116 119 A A H < S+ 0 0 27 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.771 110.6 48.3 -63.8 -26.8 65.0 64.5 23.8 117 120 A R H < S+ 0 0 165 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.731 118.1 39.1 -86.1 -23.5 63.7 61.9 21.4 118 121 A Q H < S+ 0 0 64 -4,-1.3 2,-0.4 -3,-0.3 -2,-0.2 0.503 116.5 47.5-104.9 -7.1 66.8 62.0 19.2 119 122 A C < - 0 0 8 -4,-1.7 -1,-0.2 -5,-0.1 4,-0.1 -0.990 51.4-172.2-139.1 129.5 69.5 62.4 21.8 120 123 A D + 0 0 154 -2,-0.4 -4,-0.1 -3,-0.1 2,-0.1 -0.000 53.6 108.3-108.0 27.6 70.0 60.4 25.0 121 124 A G S S- 0 0 22 1,-0.1 2,-1.0 -29,-0.0 -2,-0.1 -0.204 90.2 -65.3 -89.7-172.5 72.9 62.4 26.4 122 125 A D - 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