==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-SEP-12 4H7U . COMPND 2 MOLECULE: PYRANOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEUCOAGARICUS MELEAGRIS; . AUTHOR T.C.TAN,O.SPADIUT,C.DIVNE . 577 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 13.7 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 . 2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 44 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 1 0 0 0 1 5 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 3 3 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 . 10 2 2 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 5 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 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 1 A A 0 0 35 0, 0.0 2,-0.5 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 153.6 -7.2 36.7 -0.0 2 2 A I E -a 236 0A 54 233,-2.7 235,-2.8 230,-0.2 2,-0.4 -0.955 360.0-148.6-106.7 129.2 -7.8 34.3 -2.8 3 3 A T E -a 237 0A 50 -2,-0.5 2,-0.4 233,-0.2 235,-0.2 -0.827 8.9-164.7-104.2 136.4 -5.5 31.2 -2.7 4 4 A Y E -a 238 0A 30 233,-3.4 235,-2.4 -2,-0.4 6,-0.1 -0.968 10.9-156.5-122.4 131.7 -4.4 29.5 -5.9 5 5 A Q S S+ 0 0 100 -2,-0.4 -1,-0.1 233,-0.2 233,-0.1 0.657 77.4 21.7 -83.5 -23.9 -2.9 26.0 -5.8 6 6 A H S > S- 0 0 74 1,-0.1 3,-2.6 235,-0.0 4,-0.4 -0.992 78.6-114.4-143.2 147.5 -0.9 26.1 -9.0 7 7 A P G > S+ 0 0 11 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.825 113.2 62.8 -51.3 -35.5 0.6 28.9 -11.1 8 8 A D G 3 S+ 0 0 116 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.619 94.5 63.7 -66.8 -12.3 -1.7 28.1 -14.0 9 9 A D G < S+ 0 0 89 -3,-2.6 -1,-0.3 2,-0.1 3,-0.1 0.657 78.1 109.7 -84.7 -14.4 -4.7 28.9 -11.8 10 10 A L S < S- 0 0 30 -3,-1.5 2,-0.1 -4,-0.4 228,-0.0 -0.249 79.9-103.9 -62.5 144.6 -3.6 32.6 -11.5 11 11 A P > - 0 0 49 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.452 36.0-117.0 -72.9 139.5 -5.8 35.1 -13.4 12 12 A S T 3 S+ 0 0 123 1,-0.2 3,-0.1 -2,-0.1 -3,-0.0 -0.397 90.2 23.5 -71.7 148.5 -4.5 36.5 -16.6 13 13 A G T 3 S+ 0 0 82 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.531 82.4 134.1 79.5 4.9 -3.7 40.2 -17.1 14 14 A V < - 0 0 35 -3,-0.8 2,-0.5 2,-0.0 -1,-0.2 -0.801 37.9-162.4 -87.6 128.0 -3.2 41.0 -13.4 15 15 A D - 0 0 106 -2,-0.5 2,-0.4 -3,-0.1 259,-0.1 -0.954 13.0-142.7-109.6 131.1 -0.2 43.1 -12.6 16 16 A Y - 0 0 6 -2,-0.5 259,-3.0 257,-0.4 260,-0.3 -0.750 12.4-155.5-100.1 138.1 0.9 43.0 -9.0 17 17 A D S S+ 0 0 4 24,-2.1 259,-2.3 -2,-0.4 260,-1.3 0.910 86.2 20.6 -72.1 -42.7 2.3 46.0 -7.2 18 18 A F E -bc 42 277A 0 23,-1.6 25,-2.1 258,-0.2 2,-0.5 -0.988 62.9-162.6-129.3 141.3 4.1 43.8 -4.7 19 19 A I E -bc 43 278A 0 258,-1.6 260,-2.7 -2,-0.4 2,-0.6 -0.993 10.9-157.9-121.2 124.0 5.2 40.3 -4.8 20 20 A V E -bc 44 279A 0 23,-3.0 25,-3.2 -2,-0.5 2,-0.9 -0.889 4.1-154.1-104.4 118.6 6.1 38.6 -1.5 21 21 A A E S+bc 45 280A 1 258,-2.7 260,-3.2 -2,-0.6 25,-0.2 -0.843 75.3 32.8 -91.1 104.6 8.4 35.6 -1.8 22 22 A G - 0 0 11 23,-2.8 2,-0.7 -2,-0.9 24,-0.2 0.458 66.6-146.2 111.3 102.5 7.6 33.5 1.4 23 23 A G + 0 0 0 4,-0.1 75,-3.3 21,-0.1 76,-0.4 -0.354 61.1 120.4 -89.0 52.9 4.1 33.4 2.8 24 24 A G S > S- 0 0 8 -2,-0.7 4,-1.9 257,-0.5 75,-0.3 0.163 81.0 -55.9 -99.9-151.9 5.5 33.1 6.3 25 25 A T H > S+ 0 0 18 1,-0.2 4,-0.9 2,-0.2 74,-0.1 0.974 136.9 25.6 -55.2 -59.0 5.3 35.0 9.6 26 26 A A H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.863 117.4 62.4 -72.3 -42.3 6.6 38.3 8.2 27 27 A G H > S+ 0 0 0 254,-0.4 4,-2.7 1,-0.3 5,-0.2 0.873 104.8 46.0 -57.6 -39.2 5.5 37.7 4.6 28 28 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.798 110.0 54.5 -77.8 -26.6 1.8 37.5 5.5 29 29 A V H X S+ 0 0 0 -4,-0.9 4,-3.0 -3,-0.3 5,-0.3 0.963 113.0 43.4 -64.2 -49.0 2.1 40.6 7.7 30 30 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.951 115.7 46.6 -64.3 -48.6 3.6 42.6 4.8 31 31 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.914 116.5 45.4 -59.4 -42.1 1.2 41.2 2.2 32 32 A S H < S+ 0 0 7 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.920 115.3 44.9 -73.2 -41.0 -1.8 41.9 4.4 33 33 A R H >< S+ 0 0 53 -4,-3.0 3,-1.9 1,-0.2 4,-0.2 0.933 112.9 49.5 -68.5 -45.0 -0.8 45.3 5.5 34 34 A L H >< S+ 0 0 2 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.880 103.2 63.1 -63.5 -32.5 0.2 46.6 2.1 35 35 A S T 3< S+ 0 0 8 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.537 75.5 89.5 -69.7 -7.9 -3.2 45.3 0.7 36 36 A E T < S+ 0 0 118 -3,-1.9 2,-1.0 -4,-0.2 -1,-0.3 0.747 72.7 80.3 -61.2 -24.1 -5.0 47.8 3.0 37 37 A N S X S- 0 0 53 -3,-1.7 3,-2.6 -4,-0.2 -1,-0.1 -0.788 77.4-155.7 -81.5 103.9 -4.6 50.0 0.0 38 38 A S T 3 S+ 0 0 105 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.596 89.3 62.3 -55.8 -18.7 -7.5 48.8 -2.2 39 39 A N T 3 S+ 0 0 134 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.493 91.7 82.7 -85.4 -9.4 -5.7 50.1 -5.3 40 40 A W < - 0 0 21 -3,-2.6 2,-0.4 -6,-0.2 -24,-0.1 -0.719 64.2-152.9 -97.4 148.7 -2.8 47.8 -4.8 41 41 A K - 0 0 88 -2,-0.3 -24,-2.1 -26,-0.1 -23,-1.6 -0.982 13.1-165.4-117.1 135.4 -2.6 44.2 -5.8 42 42 A V E -bd 18 235A 0 192,-2.8 194,-3.1 -2,-0.4 2,-0.5 -0.984 7.3-163.5-127.7 128.7 -0.3 41.8 -3.9 43 43 A L E -bd 19 236A 0 -25,-2.1 -23,-3.0 -2,-0.4 2,-0.5 -0.955 5.2-163.6-107.7 127.9 0.9 38.3 -4.8 44 44 A V E -bd 20 237A 0 192,-2.6 194,-3.4 -2,-0.5 2,-0.6 -0.950 3.7-160.0-104.8 130.2 2.3 36.0 -2.2 45 45 A I E -bd 21 238A 2 -25,-3.2 -23,-2.8 -2,-0.5 2,-0.4 -0.958 14.1-178.2-113.1 119.0 4.3 33.0 -3.4 46 46 A E - 0 0 11 192,-3.0 195,-2.4 -2,-0.6 51,-0.1 -0.950 26.5-149.2-124.7 130.3 4.6 30.3 -0.8 47 47 A A S S+ 0 0 18 -2,-0.4 195,-0.1 193,-0.3 -1,-0.1 0.799 80.4 57.3 -62.7 -38.5 6.5 27.0 -1.2 48 48 A G S S- 0 0 1 1,-0.2 192,-2.8 192,-0.1 193,-0.3 -0.287 93.3 -87.2 -86.7-179.4 4.2 25.0 1.1 49 49 A P - 0 0 53 0, 0.0 48,-2.8 0, 0.0 -1,-0.2 -0.266 55.3 -75.6 -77.0 173.0 0.5 24.3 1.0 50 50 A S - 0 0 17 46,-0.2 48,-0.0 1,-0.1 -45,-0.0 -0.331 31.4-131.6 -60.1 152.7 -2.2 26.4 2.4 51 51 A N S > S+ 0 0 19 -3,-0.1 3,-2.7 2,-0.1 6,-0.1 0.729 76.0 113.8 -76.7 -26.5 -2.7 26.2 6.2 52 52 A K T 3 S+ 0 0 105 1,-0.3 3,-0.1 2,-0.0 45,-0.1 -0.116 91.5 2.1 -46.1 136.6 -6.5 25.7 5.5 53 53 A D T 3 S+ 0 0 156 1,-0.2 2,-1.7 2,-0.1 -1,-0.3 0.681 88.2 134.2 48.9 19.5 -7.5 22.2 6.6 54 54 A A X> - 0 0 20 -3,-2.7 3,-1.6 1,-0.2 4,-0.5 -0.650 41.1-175.3 -88.3 73.2 -3.9 21.6 7.8 55 55 A F H >> + 0 0 74 -2,-1.7 3,-2.0 1,-0.3 4,-0.6 0.821 66.5 54.2 -52.2 -45.5 -5.8 20.3 10.8 56 56 A V H >4 S+ 0 0 59 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.812 100.9 63.5 -66.3 -24.8 -3.0 19.5 13.2 57 57 A T H <4 S+ 0 0 7 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.706 96.0 58.5 -71.7 -19.9 -1.7 23.0 12.9 58 58 A R H << S+ 0 0 83 -3,-2.0 162,-2.1 -4,-0.5 -1,-0.2 0.750 88.4 83.1 -75.1 -27.5 -4.9 24.4 14.4 59 59 A V X< - 0 0 0 -3,-0.9 3,-1.8 -4,-0.6 4,-0.3 -0.726 67.0-155.6 -90.7 111.2 -4.5 22.4 17.7 60 60 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.897 91.1 53.0 -54.1 -44.8 -2.2 24.2 20.1 61 61 A G G 3 S+ 0 0 14 295,-2.8 3,-0.3 1,-0.3 296,-0.1 0.569 100.1 62.2 -73.6 -5.5 -1.2 21.1 22.0 62 62 A L G X S+ 0 0 12 -3,-1.8 3,-2.1 294,-0.3 -1,-0.3 0.435 72.8 99.3 -91.6 -1.9 -0.2 19.2 18.9 63 63 A A G X S+ 0 0 12 -3,-1.8 3,-2.3 -4,-0.3 -1,-0.2 0.852 72.7 63.8 -51.4 -40.6 2.6 21.8 18.2 64 64 A S G 3 S+ 0 0 62 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.608 96.8 58.5 -63.8 -15.7 5.2 19.4 19.7 65 65 A T G < S+ 0 0 81 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.437 93.2 73.1 -85.0 -1.7 4.4 16.9 16.9 66 66 A L S < S+ 0 0 5 -3,-2.3 -2,-0.1 -4,-0.2 -1,-0.1 0.355 74.9 83.6-103.1 6.0 5.3 19.4 14.1 67 67 A G S > S+ 0 0 25 -3,-0.3 3,-2.1 1,-0.2 6,-0.2 0.440 87.2 1.9 -83.8-137.1 9.1 19.9 14.0 68 68 A A T 3 S+ 0 0 48 1,-0.3 -1,-0.2 4,-0.1 22,-0.0 -0.194 132.1 15.1 -55.2 130.5 11.8 17.8 12.4 69 69 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.335 93.2 131.9 91.8 -4.3 10.4 14.9 10.4 70 70 A S S X S- 0 0 10 -3,-2.1 3,-1.4 1,-0.1 -1,-0.3 -0.304 72.9-107.4 -79.8 160.1 6.8 16.2 10.3 71 71 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.729 119.6 43.7 -59.3 -22.4 4.8 16.3 7.1 72 72 A I T 3 S+ 0 0 23 -5,-0.1 23,-3.7 -6,-0.1 2,-0.2 0.309 90.5 109.7-105.0 4.0 5.1 20.1 7.0 73 73 A D B < -G 94 0B 9 -3,-1.4 21,-0.2 21,-0.2 -6,-0.1 -0.521 66.4-138.1 -84.3 150.3 8.8 20.4 7.9 74 74 A W - 0 0 31 19,-2.6 -1,-0.1 -2,-0.2 20,-0.1 0.746 34.9-136.8 -66.9 -28.0 11.5 21.6 5.4 75 75 A N + 0 0 86 18,-0.4 2,-0.2 1,-0.2 19,-0.1 0.826 38.5 172.1 66.0 37.7 13.7 18.8 6.9 76 76 A Y - 0 0 7 15,-0.5 15,-2.3 17,-0.2 2,-0.3 -0.492 8.0-177.0 -68.5 137.8 16.7 21.1 7.0 77 77 A T B -H 90 0C 71 13,-0.2 372,-0.5 -2,-0.2 13,-0.2 -0.955 20.5-116.7-131.7 160.3 19.8 19.8 8.8 78 78 A T - 0 0 6 11,-2.6 372,-0.2 -2,-0.3 3,-0.1 -0.472 29.3 -98.6 -89.6 165.1 23.1 21.4 9.5 79 79 A I - 0 0 58 370,-2.9 10,-0.5 1,-0.2 372,-0.2 -0.293 69.7 -64.7 -62.3 159.9 26.5 20.6 8.4 80 80 A P - 0 0 76 0, 0.0 2,-0.8 0, 0.0 8,-0.2 -0.351 52.0-138.0 -51.5 132.4 28.5 18.6 11.0 81 81 A Q B > > -I 87 0D 2 6,-2.6 3,-2.3 3,-0.2 5,-1.6 -0.855 11.8-163.8-101.6 104.7 29.0 20.8 14.1 82 82 A D T 3 5S+ 0 0 145 -2,-0.8 3,-0.5 1,-0.3 -1,-0.1 0.737 88.3 58.8 -71.3 -14.7 32.5 20.3 15.2 83 83 A G T 3 5S+ 0 0 24 370,-0.3 -1,-0.3 1,-0.2 371,-0.0 0.525 105.0 53.1 -83.4 -6.3 31.7 21.8 18.6 84 84 A L T X 5S- 0 0 0 -3,-2.3 3,-2.3 3,-0.2 -1,-0.2 -0.437 132.1 -82.3-127.1 55.0 29.0 19.2 19.2 85 85 A D T 3 5S- 0 0 104 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.768 84.6 -63.7 52.0 31.4 31.0 16.0 18.6 86 86 A G T 3 S- 0 0 1 -2,-0.7 3,-2.9 -48,-0.3 -46,-0.2 -0.955 90.8 -69.5-178.3 148.1 3.3 26.0 4.8 97 97 A L T 3 S+ 0 0 1 -48,-2.8 -73,-0.2 -2,-0.3 127,-0.1 -0.370 124.4 31.3 -57.3 135.4 1.4 29.2 4.6 98 98 A G T > S- 0 0 0 -75,-3.3 3,-1.6 125,-0.1 125,-0.4 0.166 99.5-147.5 90.4 -14.9 2.1 31.2 7.8 99 99 A G G X - 0 0 7 -3,-2.9 3,-2.2 -76,-0.4 4,-0.4 -0.187 69.3 -5.2 54.7-138.4 5.5 29.6 7.9 100 100 A C G >> S+ 0 0 25 1,-0.3 4,-2.0 2,-0.2 3,-1.0 0.744 127.5 68.8 -68.1 -19.8 6.9 29.1 11.3 101 101 A S G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.630 98.3 54.9 -68.9 -16.5 3.9 30.8 12.9 102 102 A T G <4 S+ 0 0 0 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.642 121.2 26.0 -83.4 -16.7 1.8 27.8 11.7 103 103 A H T <4 S+ 0 0 17 -3,-1.0 -37,-0.2 -4,-0.4 -2,-0.2 0.542 95.4 107.2-124.5 -9.6 4.1 25.2 13.4 104 104 A N S < S- 0 0 32 -4,-2.0 -38,-0.1 -5,-0.1 -3,-0.0 0.121 81.7 -99.2 -74.4 176.7 5.7 26.9 16.4 105 105 A G - 0 0 37 2,-0.1 -1,-0.1 1,-0.1 -41,-0.1 0.295 51.2-125.3 -80.2 9.5 5.2 26.6 20.1 106 106 A M + 0 0 0 1,-0.2 107,-2.7 106,-0.1 253,-0.1 0.411 50.5 161.3 66.2 3.4 3.1 29.8 20.1 107 107 A V B -J 212 0E 6 105,-0.2 2,-0.7 252,-0.1 452,-0.3 -0.300 28.3-152.7 -63.1 132.0 5.2 31.5 22.8 108 108 A Y + 0 0 1 103,-2.8 2,-0.4 450,-0.1 103,-0.3 -0.905 31.7 150.0-109.1 100.4 4.7 35.2 22.8 109 109 A T - 0 0 4 -2,-0.7 450,-0.4 447,-0.4 91,-0.1 -0.993 30.6-164.9-134.0 130.0 7.8 37.0 24.1 110 110 A R - 0 0 0 -2,-0.4 2,-0.1 1,-0.2 445,-0.1 0.715 40.0-123.3 -86.6 -20.6 8.9 40.4 23.1 111 111 A G - 0 0 2 443,-0.3 91,-0.3 88,-0.2 -1,-0.2 -0.299 42.8 -54.2 93.8 169.0 12.5 40.3 24.4 112 112 A S >> - 0 0 0 -2,-0.1 4,-1.4 1,-0.1 3,-1.1 -0.482 47.8-112.8 -77.6 161.3 13.9 42.8 26.8 113 113 A K H 3> S+ 0 0 56 89,-3.1 4,-2.7 1,-0.3 17,-0.5 0.829 118.5 62.7 -58.5 -30.4 13.9 46.5 26.3 114 114 A D H 3> S+ 0 0 15 88,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.831 97.3 56.7 -65.5 -35.3 17.6 46.3 25.9 115 115 A D H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.952 110.9 42.1 -59.7 -50.0 17.2 44.0 22.9 116 116 A W H X S+ 0 0 0 -4,-1.4 4,-3.1 1,-0.2 -2,-0.2 0.941 116.5 48.3 -64.6 -40.2 15.1 46.6 21.0 117 117 A N H X S+ 0 0 65 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.852 110.3 52.6 -68.1 -35.5 17.4 49.3 22.2 118 118 A S H X S+ 0 0 34 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.958 112.8 44.2 -61.2 -47.7 20.4 47.3 21.1 119 119 A W H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.913 110.4 54.8 -64.3 -46.6 18.9 46.8 17.6 120 120 A A H X>S+ 0 0 0 -4,-3.1 4,-2.0 8,-0.3 5,-1.3 0.899 111.3 46.3 -52.7 -42.3 17.9 50.5 17.4 121 121 A G H <5S+ 0 0 52 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.895 113.8 45.9 -70.1 -41.3 21.6 51.4 18.1 122 122 A I H <5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 119.9 39.9 -66.7 -44.7 23.1 49.0 15.6 123 123 A I H <5S- 0 0 1 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.766 104.1-128.7 -80.4 -28.4 20.7 50.0 12.9 124 124 A G T <5S+ 0 0 61 -4,-2.0 2,-0.5 -5,-0.3 -3,-0.2 0.678 70.7 118.7 85.3 23.5 20.7 53.7 13.7 125 125 A D > < - 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