==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOENZYME 10-APR-97 1AHU . COMPND 2 MOLECULE: VANILLYL-ALCOHOL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM SIMPLICISSIMUM; . AUTHOR A.MATTEVI . 1110 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 90 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 2 0 0 4 4 2 0 2 0 0 4 4 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 6 4 10 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 4 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 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 6 A E 0 0 56 0, 0.0 34,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -40.0 80.3 58.0 91.1 2 7 A F + 0 0 131 1,-0.2 15,-0.2 32,-0.1 18,-0.1 0.796 360.0 23.1 -68.2 -39.8 78.6 61.4 90.9 3 8 A R - 0 0 165 13,-0.1 -1,-0.2 31,-0.1 4,-0.0 -0.566 62.4-172.1-145.1 85.0 81.3 63.8 89.5 4 9 A P - 0 0 15 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.112 37.0-114.8 -61.3 165.3 84.2 62.7 87.5 5 10 A L S S+ 0 0 55 30,-2.9 2,-0.4 61,-0.2 31,-0.1 0.581 96.4 40.1 -81.6 -11.4 86.9 65.3 86.7 6 11 A T - 0 0 39 29,-0.4 -1,-0.2 61,-0.2 29,-0.1 -0.927 62.9-157.8-149.5 128.0 86.1 65.0 83.0 7 12 A L - 0 0 63 -2,-0.4 106,-0.2 -3,-0.1 3,-0.1 -0.696 23.5-125.6 -97.2 152.8 83.1 64.7 80.8 8 13 A P > - 0 0 6 0, 0.0 3,-1.1 0, 0.0 104,-0.1 -0.109 60.9 -52.1 -74.7-179.9 83.1 63.4 77.4 9 14 A P T 3 S- 0 0 26 0, 0.0 3,-0.1 0, 0.0 101,-0.0 -0.313 115.2 -6.1 -71.7 145.7 81.7 65.7 74.8 10 15 A K T 3 S+ 0 0 164 1,-0.2 2,-0.5 -3,-0.1 0, 0.0 0.632 94.8 145.2 54.0 17.4 78.3 67.3 75.0 11 16 A L < - 0 0 20 -3,-1.1 2,-0.2 4,-0.0 -1,-0.2 -0.713 41.7-144.3 -92.7 135.7 77.6 65.3 78.0 12 17 A S > - 0 0 50 -2,-0.5 4,-3.0 1,-0.1 5,-0.2 -0.550 20.9-122.3 -87.7 156.4 75.5 66.6 80.9 13 18 A L H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.940 112.9 51.5 -62.4 -45.5 76.3 65.7 84.4 14 19 A S H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.947 110.4 49.9 -56.7 -45.6 73.0 64.2 85.1 15 20 A D H > S+ 0 0 57 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.934 108.3 51.6 -57.0 -49.2 73.4 62.1 82.0 16 21 A F H X S+ 0 0 0 -4,-3.0 4,-5.1 1,-0.3 5,-0.3 0.945 112.4 48.8 -49.4 -50.5 76.8 61.0 83.1 17 22 A N H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -1,-0.3 0.818 112.9 44.3 -57.2 -41.8 75.2 60.0 86.3 18 23 A E H X S+ 0 0 95 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.970 117.7 45.6 -70.0 -51.7 72.3 58.2 84.8 19 24 A F H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.3 -2,-0.2 0.969 115.6 46.0 -51.8 -59.1 74.6 56.5 82.4 20 25 A I H X S+ 0 0 1 -4,-5.1 4,-2.0 -5,-0.3 -1,-0.3 0.896 112.4 54.7 -54.9 -39.3 77.1 55.7 85.1 21 26 A Q H X S+ 0 0 70 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.914 106.6 45.9 -59.2 -49.3 74.2 54.5 87.3 22 27 A D H < S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.1 57.2 -63.2 -34.5 72.7 52.0 84.9 23 28 A I H >X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.4 3,-1.4 0.937 106.6 44.6 -65.9 -40.0 76.1 50.8 84.4 24 29 A I H 3X S+ 0 0 35 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.955 104.2 69.1 -63.9 -41.8 76.7 50.1 88.0 25 30 A R H 3< S+ 0 0 191 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.297 115.0 22.4 -58.0 12.8 73.2 48.6 87.9 26 31 A I H <4 S+ 0 0 55 -3,-1.4 -2,-0.2 -2,-0.2 -1,-0.2 0.460 125.8 38.9-142.7 -60.4 74.7 45.7 85.8 27 32 A V H < S- 0 0 3 -4,-2.1 4,-0.4 -5,-0.2 -3,-0.2 0.519 110.0-111.3 -78.5 -4.9 78.4 45.2 86.1 28 33 A G >< - 0 0 26 -4,-2.0 3,-1.8 -5,-0.4 4,-0.2 0.218 24.8 -87.9 84.6 146.1 78.4 45.8 89.8 29 34 A S G > S+ 0 0 77 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.713 128.6 67.8 -59.3 -22.7 79.8 48.6 91.8 30 35 A E G 3 S+ 0 0 138 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.2 0.837 95.8 53.4 -68.9 -32.1 82.8 46.4 91.7 31 36 A N G < S+ 0 0 19 -3,-1.8 40,-3.4 -4,-0.4 2,-0.4 0.369 100.8 65.9 -85.1 3.3 83.1 46.9 88.0 32 37 A V E < -A 70 0A 20 -3,-0.8 2,-0.5 -4,-0.2 38,-0.2 -0.975 51.2-172.0-134.3 141.8 83.2 50.6 87.9 33 38 A E E -A 69 0A 116 36,-1.9 36,-2.7 -2,-0.4 2,-0.5 -0.963 16.0-150.9-133.5 115.3 85.5 53.2 89.1 34 39 A V E -A 68 0A 26 -2,-0.5 2,-1.3 34,-0.2 34,-0.2 -0.747 11.0-137.2 -90.9 131.1 84.5 56.7 88.9 35 40 A I + 0 0 7 32,-1.8 -30,-2.9 -2,-0.5 -29,-0.4 -0.629 40.2 153.0 -91.1 80.1 87.2 59.4 88.5 36 41 A S + 0 0 47 -2,-1.3 2,-0.3 -32,-0.3 -1,-0.2 0.716 56.4 20.2 -76.2 -34.3 86.1 62.1 90.9 37 42 A S S > S- 0 0 59 1,-0.1 3,-0.5 -32,-0.0 -1,-0.1 -0.986 76.4-103.4-149.2 158.5 89.3 63.9 91.9 38 43 A K G > S+ 0 0 147 -2,-0.3 3,-2.2 1,-0.3 2,-0.6 0.673 93.0 100.1 -46.7 -20.6 92.8 64.6 90.9 39 44 A D G 3 + 0 0 122 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.362 58.7 91.2 -53.9 12.1 94.0 62.1 93.7 40 45 A Q G < + 0 0 29 -2,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.420 47.2 116.4 -80.6 -11.5 94.3 59.9 90.5 41 46 A I < + 0 0 104 -3,-2.2 2,-0.8 2,-0.1 -1,-0.2 0.613 41.2 112.5 -34.9 -25.0 97.8 61.2 90.5 42 47 A V - 0 0 105 -3,-0.4 -1,-0.0 1,-0.2 -3,-0.0 -0.500 49.4-175.1 -65.0 104.1 98.6 57.6 91.0 43 48 A D - 0 0 27 -2,-0.8 7,-0.6 1,-0.2 2,-0.5 0.802 28.7-139.3 -73.6 -40.6 100.4 56.7 87.8 44 49 A G - 0 0 44 5,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.922 6.9 -98.1 133.3-132.2 100.7 53.1 88.5 45 50 A S - 0 0 75 -2,-0.5 5,-0.2 5,-0.1 0, 0.0 -0.859 32.9-105.7 170.3 173.9 103.5 50.5 87.9 46 51 A Y S S+ 0 0 49 -2,-0.3 -1,-0.0 1,-0.1 55,-0.0 0.750 120.8 62.1 -89.4 -27.4 104.0 48.0 85.1 47 52 A M S S+ 0 0 150 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.895 123.8 10.9 -63.9 -38.0 102.9 45.4 87.7 48 53 A K S S- 0 0 162 50,-0.0 -1,-0.3 2,-0.0 -2,-0.1 -0.736 88.2-146.6-149.5 94.4 99.5 47.0 88.1 49 54 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.071 9.2-125.0 -61.7 150.3 98.6 49.5 85.6 50 55 A T - 0 0 21 -7,-0.6 56,-0.7 -5,-0.2 57,-0.1 -0.758 16.2-167.2 -93.3 137.9 96.5 52.6 85.9 51 56 A H S S+ 0 0 35 -2,-0.4 15,-0.1 1,-0.1 -1,-0.1 0.602 72.7 77.3-102.6 -13.4 93.7 52.8 83.4 52 57 A T S S- 0 0 7 55,-0.1 14,-1.9 13,-0.1 2,-0.3 0.797 104.8 -26.3 -65.6 -31.2 92.7 56.4 83.9 53 58 A H S S- 0 0 1 12,-0.2 53,-0.7 54,-0.2 54,-0.5 -0.855 82.5 -44.2-159.9-166.6 95.6 57.8 81.9 54 59 A D - 0 0 3 7,-0.6 51,-0.2 10,-0.5 3,-0.1 -0.751 37.7-167.3 -84.3 110.0 99.0 57.9 80.3 55 60 A P S S+ 0 0 16 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 0.991 88.1 49.3 -64.0 -64.2 101.5 56.8 83.0 56 61 A H S S- 0 0 17 361,-0.1 2,-0.6 -13,-0.1 46,-0.2 -0.668 97.2-159.2 -73.9 90.5 104.6 58.0 81.0 57 62 A H + 0 0 10 -2,-1.7 4,-0.2 1,-0.2 5,-0.1 -0.725 32.9 164.9 -92.6 121.8 102.9 61.3 80.5 58 63 A V S S+ 0 0 6 -2,-0.6 -1,-0.2 2,-0.2 422,-0.1 0.845 72.9 39.0 -90.5 -45.5 104.1 63.6 77.7 59 64 A M S S- 0 0 20 1,-0.3 3,-0.1 2,-0.1 2,-0.0 0.049 130.0 -39.8 -85.8-156.3 101.2 66.0 77.5 60 65 A D > - 0 0 94 1,-0.2 3,-2.0 2,-0.1 4,-0.4 -0.500 64.7-126.1 -62.8 140.8 99.5 67.3 80.7 61 66 A Q G > S+ 0 0 32 1,-0.3 -7,-0.6 -4,-0.2 3,-0.5 0.974 116.9 44.0 -51.7 -53.8 99.5 64.0 82.8 62 67 A D G 3 S+ 0 0 83 1,-0.2 -1,-0.3 -9,-0.1 -2,-0.1 0.372 90.3 104.4 -65.8 -3.3 95.7 64.6 83.2 63 68 A Y G < S+ 0 0 89 -3,-2.0 2,-0.7 1,-0.2 -1,-0.2 0.947 82.6 31.6 -52.0 -64.8 95.6 65.4 79.4 64 69 A F S < S+ 0 0 3 -3,-0.5 -10,-0.5 -4,-0.4 2,-0.4 -0.874 91.4 160.9 -96.1 114.6 94.0 62.2 78.0 65 70 A L - 0 0 3 -2,-0.7 47,-4.9 42,-0.2 48,-0.5 -0.966 39.7-121.2-153.8 140.6 91.7 60.8 80.7 66 71 A A - 0 0 0 -14,-1.9 48,-0.2 -2,-0.4 -61,-0.2 -0.049 8.8-149.8 -60.3 162.6 88.8 58.6 81.6 67 72 A S S S- 0 0 0 46,-3.1 -32,-1.8 1,-0.6 2,-0.3 0.686 83.1 -31.8-101.3 -31.8 85.6 59.9 83.1 68 73 A A E -Ab 34 114A 0 45,-1.1 47,-2.3 -34,-0.2 -1,-0.6 -0.972 65.5-111.0-169.8 173.5 85.4 56.4 84.8 69 74 A I E -Ab 33 115A 12 -36,-2.7 -36,-1.9 -2,-0.3 2,-0.5 -0.944 18.9-159.5-130.0 144.8 86.2 52.8 84.2 70 75 A V E -Ab 32 116A 0 45,-4.2 47,-1.3 -2,-0.4 -38,-0.2 -0.944 12.1-159.9-133.2 131.6 84.3 49.8 83.5 71 76 A A - 0 0 3 -40,-3.4 2,-0.2 -2,-0.5 47,-0.2 -0.835 18.6-152.4 -94.9 95.2 85.0 46.2 83.9 72 77 A P - 0 0 0 0, 0.0 49,-0.6 0, 0.0 50,-0.3 -0.558 4.3-153.9 -68.1 137.5 82.5 44.4 81.7 73 78 A R S S- 0 0 119 1,-0.2 2,-0.3 -2,-0.2 3,-0.0 0.613 71.0 -4.2 -83.5 -26.4 82.1 40.9 83.4 74 79 A N S >> S- 0 0 40 1,-0.1 4,-1.7 48,-0.1 3,-1.0 -0.977 83.3 -89.0-163.2 163.9 81.1 39.1 80.2 75 80 A V H 3> S+ 0 0 10 1,-0.3 4,-3.5 -2,-0.3 5,-0.2 0.858 122.7 58.7 -49.6 -41.1 80.3 39.9 76.5 76 81 A A H 3> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.902 105.1 54.3 -56.6 -37.2 76.7 40.5 77.1 77 82 A D H <> S+ 0 0 6 -3,-1.0 4,-2.1 2,-0.2 3,-0.4 0.973 105.5 48.8 -60.0 -53.9 78.0 43.1 79.4 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 -2,-0.2 0.933 111.0 54.5 -51.2 -44.2 80.0 44.7 76.7 79 84 A Q H X S+ 0 0 50 -4,-3.5 4,-1.7 1,-0.2 -1,-0.3 0.878 106.5 49.0 -57.9 -41.7 76.9 44.6 74.6 80 85 A S H X S+ 0 0 58 -4,-2.4 4,-2.1 -3,-0.4 -1,-0.2 0.888 110.5 49.2 -65.9 -40.2 74.8 46.4 77.1 81 86 A I H X S+ 0 0 0 -4,-2.1 4,-4.6 2,-0.3 5,-0.4 0.858 105.7 57.3 -66.7 -38.5 77.2 49.2 77.6 82 87 A V H X S+ 0 0 1 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.958 106.5 51.8 -58.3 -43.3 77.6 49.7 74.0 83 88 A G H X S+ 0 0 36 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.3 0.930 114.0 41.5 -56.2 -48.0 73.9 50.2 74.1 84 89 A L H X S+ 0 0 22 -4,-2.1 4,-3.5 2,-0.3 5,-0.3 0.902 110.6 54.4 -66.6 -45.3 74.2 52.8 76.8 85 90 A A H X>S+ 0 0 0 -4,-4.6 4,-1.8 1,-0.3 5,-1.2 0.921 115.6 44.7 -57.1 -38.5 77.2 54.4 75.2 86 91 A N H <5S+ 0 0 32 -4,-3.1 -2,-0.3 -5,-0.4 -1,-0.3 0.947 109.4 52.3 -73.2 -37.8 74.8 54.6 72.3 87 92 A K H <5S+ 0 0 151 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.967 127.0 25.0 -58.2 -50.0 71.8 55.7 74.3 88 93 A F H <5S- 0 0 23 -4,-3.5 -1,-0.2 2,-0.1 -2,-0.2 0.414 101.8-121.5 -91.6 -3.1 73.9 58.6 75.7 89 94 A S T <5 + 0 0 63 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.2 0.921 58.0 154.7 64.1 35.5 76.5 59.0 73.1 90 95 A F < - 0 0 0 -5,-1.2 -1,-0.3 -6,-0.3 2,-0.2 -0.882 37.6-136.3 -93.9 127.8 79.1 58.4 75.7 91 96 A P - 0 0 1 0, 0.0 23,-2.4 0, 0.0 2,-0.3 -0.577 13.6-132.3 -92.9 158.3 82.1 57.0 73.9 92 97 A L E -cd 114 536A 0 443,-4.6 445,-1.9 -2,-0.2 23,-0.2 -0.697 12.8-159.3-105.2 155.9 84.2 54.1 74.8 93 98 A W E -c 115 0A 20 21,-3.7 23,-3.6 -2,-0.3 2,-0.3 -0.850 22.5-161.5-135.6 97.1 87.9 53.3 75.2 94 99 A P E +c 116 0A 38 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.576 15.6 167.5 -80.4 133.0 88.4 49.6 75.1 95 100 A I E -c 117 0A 18 21,-2.4 23,-2.9 -2,-0.3 24,-0.7 -0.989 26.4-163.7-147.0 151.3 91.5 48.0 76.3 96 101 A S S S+ 0 0 17 -2,-0.3 23,-0.7 22,-0.2 -1,-0.2 0.853 88.3 6.8 -91.1 -64.8 92.6 44.4 77.2 97 102 A I S S- 0 0 29 22,-0.1 -2,-0.1 21,-0.1 9,-0.1 0.955 74.2-130.3 -88.9 -71.4 95.6 45.0 79.2 98 103 A G S S+ 0 0 7 7,-0.1 8,-0.5 -50,-0.0 9,-0.2 0.050 78.2 107.1 135.3 -22.0 96.6 48.6 80.2 99 104 A R + 0 0 54 1,-0.2 2,-2.5 6,-0.2 70,-0.1 0.297 25.1 119.1 -70.7 4.1 100.1 48.1 79.0 100 105 A N > > + 0 0 52 3,-0.1 5,-2.2 4,-0.1 3,-1.0 0.108 45.3 156.1 -66.1 35.5 100.1 50.2 75.9 101 106 A S T 3 5 + 0 0 20 -2,-2.5 317,-0.1 3,-0.3 -2,-0.1 -0.326 59.8 35.4 -59.8 137.2 102.8 52.2 77.8 102 107 A G T 3 5S+ 0 0 1 315,-0.2 317,-1.1 -46,-0.2 -1,-0.3 0.460 124.3 52.9 87.2 4.7 105.1 54.1 75.4 103 108 A Y T < 5S- 0 0 15 -3,-1.0 399,-1.9 315,-0.1 -2,-0.3 0.338 135.8 -77.3-143.5 -14.5 101.9 54.5 73.5 104 109 A G T > 5 - 0 0 1 -4,-0.4 3,-1.4 397,-0.2 -3,-0.3 0.186 53.4-140.5 134.6 -20.6 99.6 55.9 76.1 105 110 A G T 3 S- 0 0 0 428,-0.5 3,-1.0 -46,-0.1 -1,-0.1 -0.790 94.6-127.8 -92.2 125.1 89.3 61.5 74.0 111 116 A S T 3 S+ 0 0 23 -2,-0.6 -45,-0.2 1,-0.2 3,-0.1 -0.312 89.2 36.1 -71.0 152.4 89.1 62.6 77.6 112 117 A G T 3 S+ 0 0 0 -47,-4.9 -1,-0.2 1,-0.3 -46,-0.2 0.477 91.7 134.3 86.5 2.5 86.0 62.0 79.8 113 118 A S < - 0 0 0 -3,-1.0 -46,-3.1 -48,-0.5 -45,-1.1 -0.154 62.8 -99.5 -75.9 172.3 85.6 58.7 77.9 114 119 A V E -bc 68 92A 1 -23,-2.4 -21,-3.7 -48,-0.2 2,-0.6 -0.846 26.5-143.8-101.6 122.8 84.8 55.4 79.3 115 120 A V E -bc 69 93A 0 -47,-2.3 -45,-4.2 -2,-0.7 2,-1.1 -0.692 9.3-153.4 -84.7 123.1 87.6 53.0 79.8 116 121 A L E -bc 70 94A 0 -23,-3.6 -21,-2.4 -2,-0.6 2,-1.7 -0.758 2.0-160.6 -98.4 91.0 86.5 49.6 79.1 117 122 A D E + c 0 95A 19 -47,-1.3 4,-0.4 -2,-1.1 3,-0.2 -0.586 20.6 170.1 -72.7 93.3 88.8 47.4 81.1 118 123 A M > + 0 0 3 -23,-2.9 4,-1.2 -2,-1.7 3,-0.4 0.826 67.2 56.3 -73.3 -41.0 88.0 44.2 79.0 119 124 A G T 4 S+ 0 0 5 -23,-0.7 -1,-0.2 -24,-0.7 -23,-0.1 0.738 83.5 85.0 -69.6 -20.2 90.7 42.1 80.5 120 125 A K T 4 S+ 0 0 94 1,-0.2 3,-0.2 -3,-0.2 -1,-0.2 0.908 114.8 4.9 -46.3 -57.4 89.6 42.4 84.1 121 126 A N T 4 S+ 0 0 51 -49,-0.6 2,-0.9 -4,-0.4 -1,-0.2 0.601 120.1 74.2-103.0 -20.9 87.0 39.7 84.1 122 127 A M < + 0 0 4 -4,-1.2 18,-1.0 -50,-0.3 19,-0.4 -0.296 57.3 135.0 -91.8 52.4 87.5 38.3 80.6 123 128 A N + 0 0 92 -2,-0.9 2,-0.2 17,-0.3 -1,-0.2 0.123 32.3 143.1 -79.9 10.6 90.8 36.6 81.5 124 129 A R - 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0 0 60 -2,-0.3 3,-0.2 1,-0.1 93,-0.2 -0.322 45.6-110.4 -74.6 165.9 89.6 11.5 28.0 875 324 B K S >> S+ 0 0 16 92,-1.4 4,-1.5 1,-0.2 3,-1.3 0.880 121.0 55.7 -60.0 -37.2 87.3 9.3 30.1 876 325 B R T 34 S+ 0 0 186 91,-0.6 4,-0.4 1,-0.3 3,-0.3 0.906 94.9 64.5 -60.9 -41.3 86.4 7.5 27.0 877 326 B S T 34 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.266 116.1 33.7 -65.9 12.1 90.0 6.7 26.2 878 327 B Y T <4 S- 0 0 47 -3,-1.3 -1,-0.3 -5,-0.0 -2,-0.2 0.497 135.8 -4.2-141.3 -24.7 89.8 4.6 29.4 879 328 B S < - 0 0 24 -4,-1.5 2,-1.4 -3,-0.3 -2,-0.2 -0.231 50.7-145.9 175.1 92.0 86.1 3.2 29.5 880 329 B S + 0 0 110 -4,-0.4 2,-0.3 2,-0.0 3,-0.1 -0.398 57.6 128.8 -62.1 89.6 83.2 3.8 27.2 881 330 B R - 0 0 97 -2,-1.4 -1,-0.0 2,-0.1 4,-0.0 -0.845 52.7-153.3-157.8 106.6 80.7 3.6 30.0 882 331 B T S S+ 0 0 141 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.925 80.9 75.7 -53.9 -44.9 78.2 6.3 30.5 883 332 B E S S- 0 0 127 1,-0.1 -2,-0.1 -3,-0.1 3,-0.1 -0.161 101.4 -86.9 -63.5 169.8 78.0 5.5 34.1 884 333 B P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.379 57.9 -81.4 -70.9 158.5 80.9 6.6 36.4 885 334 B L - 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