==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-APR-08 3CZR . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,A.SUDOM,N.P.WALKER . 528 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.4 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 1 3 0 0 0 6 0 3 2 1 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 7 0 1 2 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 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 . 0 0 0 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 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 20 A Q 0 0 62 0, 0.0 234,-0.1 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 105.9 43.3 -7.1 32.4 2 21 A Q - 0 0 155 232,-0.1 2,-0.1 3,-0.0 232,-0.0 -0.754 360.0-157.6 -88.7 116.4 40.6 -4.9 33.8 3 22 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 230,-0.2 -0.483 32.2 -96.0 -78.7 161.4 39.5 -6.0 37.3 4 23 A L - 0 0 63 228,-1.4 230,-0.0 -2,-0.1 4,-0.0 -0.696 23.9-144.7 -75.8 131.2 36.0 -5.0 38.6 5 24 A N + 0 0 167 -2,-0.4 2,-0.1 2,-0.0 -1,-0.1 -0.040 68.3 105.2 -85.0 32.3 36.3 -1.8 40.7 6 25 A E S S- 0 0 97 226,-0.1 2,-0.3 1,-0.0 -2,-0.0 -0.416 79.7-100.7-101.0 176.6 33.5 -3.2 43.0 7 26 A E - 0 0 166 -2,-0.1 -1,-0.0 1,-0.1 -2,-0.0 -0.774 51.9 -99.2 -89.7 145.2 33.3 -4.7 46.4 8 27 A F - 0 0 32 -2,-0.3 -1,-0.1 2,-0.0 220,-0.1 -0.364 37.3-164.3 -63.9 146.9 33.1 -8.5 46.3 9 28 A R > - 0 0 106 1,-0.1 3,-2.7 219,-0.1 4,-0.2 -0.972 21.8-137.2-136.4 122.3 29.6 -10.0 46.7 10 29 A P G > S+ 0 0 72 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.718 101.7 67.9 -51.9 -24.6 29.1 -13.7 47.5 11 30 A E G > S+ 0 0 102 1,-0.3 3,-2.0 2,-0.2 -3,-0.0 0.730 76.3 84.1 -70.2 -22.3 26.3 -13.8 44.9 12 31 A M G < S+ 0 0 28 -3,-2.7 -1,-0.3 1,-0.3 26,-0.0 0.692 93.1 47.6 -47.3 -23.8 28.8 -13.3 42.1 13 32 A L G X S+ 0 0 4 -3,-1.3 3,-1.6 -4,-0.2 -1,-0.3 0.484 81.1 118.2-102.5 -4.6 29.5 -17.0 42.2 14 33 A Q T < S+ 0 0 134 -3,-2.0 26,-0.3 1,-0.3 25,-0.2 -0.470 89.5 5.1 -66.7 125.9 25.8 -18.2 42.2 15 34 A G T 3 S+ 0 0 36 24,-3.0 -1,-0.3 1,-0.3 25,-0.2 0.374 99.6 136.7 81.2 -5.3 25.1 -20.3 39.2 16 35 A K < - 0 0 87 -3,-1.6 25,-3.6 23,-0.2 2,-0.5 -0.448 53.6-131.7 -76.6 147.7 28.8 -20.1 38.1 17 36 A K E +a 41 0A 59 23,-0.2 78,-2.2 -2,-0.1 79,-1.9 -0.901 33.5 177.2-105.0 124.2 30.5 -23.3 36.9 18 37 A V E -ab 42 96A 0 23,-2.1 25,-2.1 -2,-0.5 2,-0.4 -0.990 24.0-155.2-137.3 130.9 33.8 -23.8 38.6 19 38 A I E -ab 43 97A 0 77,-2.4 79,-1.8 -2,-0.4 2,-0.4 -0.831 14.3-174.6 -95.3 143.4 36.6 -26.5 38.5 20 39 A V E -ab 44 98A 0 23,-1.7 25,-1.1 -2,-0.4 3,-0.4 -0.970 9.4-154.8-136.2 125.4 38.8 -26.8 41.6 21 40 A T S S+ 0 0 0 77,-1.7 25,-0.1 -2,-0.4 23,-0.0 -0.584 75.1 23.7 -99.7 167.1 41.8 -29.2 41.5 22 41 A G S S+ 0 0 19 -2,-0.2 6,-0.4 23,-0.1 3,-0.3 0.934 82.5 144.3 41.8 54.2 43.4 -30.8 44.5 23 42 A A + 0 0 0 22,-2.3 23,-0.1 -3,-0.4 -1,-0.1 0.096 34.2 91.0-111.3 22.7 40.1 -30.3 46.2 24 43 A S S S- 0 0 13 21,-0.2 2,-0.3 31,-0.1 -1,-0.2 0.540 106.4 -15.1 -90.7 -7.9 39.8 -33.5 48.4 25 44 A K S > S+ 0 0 107 -3,-0.3 4,-2.4 30,-0.0 3,-0.4 -0.903 105.4 42.4-168.1-171.9 41.5 -31.6 51.2 26 45 A G H > S- 0 0 15 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.030 116.5 -25.4 57.6-150.3 43.6 -28.5 52.1 27 46 A I H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 137.3 61.8 -62.1 -34.9 42.7 -25.1 50.6 28 47 A G H > S+ 0 0 0 -6,-0.4 4,-2.4 -3,-0.4 -5,-0.3 0.941 103.6 46.9 -57.6 -51.1 41.1 -26.8 47.6 29 48 A R H X S+ 0 0 67 -4,-2.4 4,-2.5 -7,-0.3 -1,-0.2 0.920 111.6 52.5 -56.6 -44.9 38.4 -28.5 49.8 30 49 A E H X S+ 0 0 27 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.833 107.1 52.0 -63.2 -34.6 37.8 -25.2 51.5 31 50 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.939 107.5 52.0 -64.7 -48.1 37.3 -23.5 48.2 32 51 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.962 109.9 50.6 -47.9 -53.9 34.8 -26.1 47.1 33 52 A Y H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.866 110.3 47.6 -57.4 -41.5 32.9 -25.5 50.4 34 53 A H H < S+ 0 0 14 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.894 114.4 47.3 -65.0 -38.4 32.8 -21.6 49.9 35 54 A L H ><>S+ 0 0 0 -4,-2.6 3,-1.4 2,-0.2 5,-1.0 0.922 111.2 51.7 -69.3 -42.6 31.6 -22.1 46.3 36 55 A A H ><5S+ 0 0 0 -4,-3.4 3,-2.7 1,-0.3 -2,-0.2 0.965 106.7 52.8 -50.0 -59.1 29.0 -24.6 47.5 37 56 A K T 3<5S+ 0 0 98 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.507 108.4 53.3 -56.5 -8.3 27.8 -22.1 50.1 38 57 A M T < 5S- 0 0 24 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.415 117.4-112.4-109.8 -3.5 27.4 -19.6 47.3 39 58 A G T < 5 + 0 0 14 -3,-2.7 -24,-3.0 -4,-0.4 2,-0.3 0.978 63.1 151.2 74.2 56.3 25.3 -21.9 45.2 40 59 A A < - 0 0 0 -5,-1.0 25,-1.4 -26,-0.3 26,-1.3 -0.748 52.4-108.0-112.2 160.5 27.8 -22.5 42.4 41 60 A H E -ac 17 66A 50 -25,-3.6 -23,-2.1 -2,-0.3 2,-0.4 -0.804 45.9-171.7 -86.8 137.8 28.2 -25.5 40.1 42 61 A V E -ac 18 67A 1 24,-1.3 26,-2.1 -2,-0.4 2,-0.5 -0.992 24.7-175.0-143.2 127.8 31.3 -27.3 41.1 43 62 A V E -ac 19 68A 0 -25,-2.1 -23,-1.7 -2,-0.4 2,-0.3 -0.995 18.8-168.4-119.8 126.3 33.4 -30.1 39.8 44 63 A V E -ac 20 69A 2 24,-2.3 26,-1.6 -2,-0.5 2,-0.3 -0.760 3.5-170.3-114.2 157.9 36.3 -31.3 42.0 45 64 A T E + c 0 70A 1 -25,-1.1 -22,-2.3 -2,-0.3 2,-0.3 -0.965 20.3 134.1-144.2 160.3 39.3 -33.6 41.3 46 65 A A E - c 0 71A 13 24,-0.6 26,-1.5 -2,-0.3 27,-0.1 -0.859 62.8 -88.8 173.8 173.2 42.1 -35.3 43.1 47 66 A R S S+ 0 0 149 24,-0.3 2,-0.5 -2,-0.3 26,-0.1 0.878 102.6 68.7 -69.5 -36.7 43.5 -38.8 43.0 48 67 A S > - 0 0 56 1,-0.1 4,-1.6 24,-0.1 -1,-0.1 -0.753 57.1-165.7-103.3 124.0 41.3 -40.5 45.6 49 68 A K H > S+ 0 0 130 -2,-0.5 4,-2.6 2,-0.2 5,-0.1 0.834 84.2 58.5 -71.0 -38.4 37.6 -41.0 45.1 50 69 A E H > S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.968 111.0 40.7 -59.3 -56.8 36.5 -41.7 48.7 51 70 A T H > S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 114.5 55.6 -59.8 -36.2 37.8 -38.4 50.1 52 71 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.889 102.2 55.9 -62.7 -41.7 36.4 -36.7 47.0 53 72 A Q H X S+ 0 0 85 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.891 103.0 54.2 -56.5 -46.7 32.9 -38.1 47.6 54 73 A K H X S+ 0 0 113 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.915 110.2 47.5 -55.4 -46.7 32.8 -36.6 51.1 55 74 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.962 112.1 49.3 -59.0 -53.2 33.6 -33.1 49.7 56 75 A V H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.944 112.6 48.7 -50.8 -54.1 31.0 -33.6 47.0 57 76 A S H X S+ 0 0 52 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.933 112.8 45.4 -51.6 -54.1 28.3 -34.7 49.6 58 77 A H H X S+ 0 0 72 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.817 107.5 60.4 -67.9 -26.7 29.0 -31.8 52.0 59 78 A C H X>S+ 0 0 0 -4,-2.6 5,-1.9 -5,-0.2 4,-0.8 0.943 108.6 42.2 -59.6 -49.0 29.0 -29.4 49.0 60 79 A L H ><5S+ 0 0 95 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.967 113.6 52.4 -63.8 -50.1 25.4 -30.3 48.2 61 80 A E H 3<5S+ 0 0 161 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.0 54.3 -48.3 -33.8 24.6 -30.3 51.9 62 81 A L H 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.624 130.1 -92.2 -82.2 -14.7 26.1 -26.8 51.9 63 82 A G T <<5 + 0 0 46 -3,-1.7 -3,-0.2 -4,-0.8 -2,-0.1 0.650 60.5 170.6 115.0 22.5 23.8 -25.5 49.1 64 83 A A < - 0 0 13 -5,-1.9 -1,-0.2 -25,-0.2 -23,-0.2 -0.338 38.3-135.3 -64.1 140.1 25.8 -26.1 45.9 65 84 A A S S- 0 0 50 -25,-1.4 2,-0.3 1,-0.3 -24,-0.3 0.874 89.3 -20.8 -65.5 -38.0 23.9 -25.6 42.7 66 85 A S E -c 41 0A 23 -26,-1.3 -24,-1.3 2,-0.0 -1,-0.3 -0.945 68.5-167.3-156.5 168.2 25.5 -28.9 41.6 67 86 A A E +c 42 0A 9 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.893 14.1 152.8-162.5 127.3 28.5 -30.8 42.6 68 87 A H E -c 43 0A 78 -26,-2.1 -24,-2.3 -2,-0.3 2,-0.3 -0.864 22.4-141.5-141.2 176.7 30.5 -33.8 41.2 69 88 A Y E -c 44 0A 74 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.983 7.6-169.0-141.4 154.5 34.0 -35.3 41.2 70 89 A I E -c 45 0A 21 -26,-1.6 -24,-0.6 -2,-0.3 2,-0.2 -0.967 22.3-146.1-137.5 128.6 36.3 -37.1 38.8 71 90 A A E +c 46 0A 35 -2,-0.4 -24,-0.3 -26,-0.2 2,-0.2 -0.639 36.8 117.6 -94.9 152.7 39.3 -38.8 40.3 72 91 A G - 0 0 17 -26,-1.5 2,-0.5 -2,-0.2 -24,-0.1 -0.837 57.3 -88.5 165.5 161.6 42.7 -39.1 38.6 73 92 A T > - 0 0 47 -2,-0.2 3,-2.1 -26,-0.1 7,-0.2 -0.785 19.8-145.8 -93.3 131.1 46.4 -38.2 38.8 74 93 A M T 3 S+ 0 0 13 -2,-0.5 53,-0.1 1,-0.3 -1,-0.1 0.341 94.4 81.9 -76.9 7.8 47.7 -34.9 37.2 75 94 A E T 3 S+ 0 0 91 1,-0.2 2,-1.1 52,-0.0 -1,-0.3 0.688 80.5 79.9 -71.1 -20.5 50.8 -36.8 36.4 76 95 A D <> - 0 0 70 -3,-2.1 4,-2.9 1,-0.2 3,-0.3 -0.728 61.6-173.9 -96.0 97.4 48.6 -37.9 33.5 77 96 A M H > S+ 0 0 29 -2,-1.1 4,-2.7 1,-0.3 5,-0.2 0.836 90.0 54.2 -51.6 -37.6 48.5 -35.1 30.9 78 97 A T H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.902 108.5 47.2 -66.3 -44.0 45.8 -37.2 29.1 79 98 A F H > S+ 0 0 22 -3,-0.3 4,-3.7 -6,-0.2 -2,-0.2 0.945 111.2 53.6 -58.8 -48.3 43.7 -37.4 32.2 80 99 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 -7,-0.2 -2,-0.2 0.955 111.9 42.6 -50.7 -58.5 44.2 -33.6 32.7 81 100 A E H X S+ 0 0 116 -4,-2.7 4,-1.2 1,-0.2 3,-0.3 0.930 118.1 46.1 -57.0 -48.3 43.0 -32.7 29.2 82 101 A Q H X S+ 0 0 103 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.877 104.2 62.4 -61.3 -42.0 40.1 -35.2 29.4 83 102 A F H X S+ 0 0 0 -4,-3.7 4,-2.4 1,-0.2 -1,-0.2 0.861 101.6 51.3 -51.2 -43.8 39.1 -34.1 32.9 84 103 A V H X S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.884 111.1 49.2 -66.0 -36.3 38.3 -30.6 31.6 85 104 A A H X S+ 0 0 44 -4,-1.2 4,-2.2 2,-0.2 3,-0.3 0.985 112.8 44.3 -64.3 -60.5 36.1 -32.1 28.9 86 105 A Q H X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.887 115.6 50.4 -46.6 -46.4 34.1 -34.4 31.1 87 106 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.820 106.6 55.2 -65.7 -35.6 33.8 -31.5 33.6 88 107 A G H X>S+ 0 0 8 -4,-1.8 5,-1.8 -3,-0.3 4,-1.8 0.904 109.2 45.4 -63.0 -44.5 32.6 -29.2 30.9 89 108 A K H ><5S+ 0 0 166 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.986 107.6 59.7 -60.8 -54.6 29.7 -31.5 29.9 90 109 A L H 3<5S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 121.0 24.0 -42.3 -41.4 28.8 -32.0 33.5 91 110 A M H 3<5S- 0 0 17 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.591 103.8-121.5-105.0 -13.5 28.1 -28.3 34.1 92 111 A G T <<5S+ 0 0 51 -4,-1.8 2,-0.2 -3,-0.6 -3,-0.2 0.961 81.6 0.1 68.9 53.1 27.4 -27.3 30.5 93 112 A G S > + 0 0 84 1,-0.2 4,-1.9 2,-0.1 3,-0.9 -0.277 10.4 143.2 -91.2 59.7 66.4 -36.0 43.5 114 133 A I H 3> S+ 0 0 28 -2,-1.9 4,-2.8 1,-0.3 5,-0.3 0.848 74.1 62.3 -56.8 -32.9 65.9 -35.1 39.8 115 134 A H H 3> S+ 0 0 141 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.870 105.2 45.4 -66.1 -30.7 62.9 -37.4 39.8 116 135 A H H <> S+ 0 0 47 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.866 111.9 52.2 -76.2 -37.3 61.3 -35.2 42.4 117 136 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 113.5 43.4 -60.8 -43.8 62.2 -32.0 40.4 118 137 A R H X S+ 0 0 60 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.915 112.2 51.2 -74.4 -41.6 60.7 -33.4 37.2 119 138 A K H X S+ 0 0 78 -4,-1.9 4,-3.1 -5,-0.3 5,-0.4 0.862 110.7 52.2 -63.4 -29.6 57.6 -34.7 38.8 120 139 A S H X>S+ 0 0 0 -4,-1.6 4,-3.3 2,-0.2 5,-0.8 0.970 111.3 43.8 -70.7 -52.3 57.2 -31.3 40.4 121 140 A M H X>S+ 0 0 1 -4,-2.4 5,-2.6 3,-0.2 4,-1.5 0.938 117.6 48.1 -51.6 -47.4 57.5 -29.5 37.1 122 141 A E H <>S+ 0 0 28 -4,-3.4 5,-2.2 3,-0.2 -2,-0.2 0.959 125.8 25.8 -62.9 -53.3 55.2 -32.1 35.5 123 142 A V H <5S+ 0 0 9 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.923 128.4 40.9 -78.6 -45.6 52.5 -32.0 38.2 124 143 A N H <5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.4 -2,-0.2 0.811 135.2 8.1 -76.1 -32.2 53.0 -28.5 39.7 125 144 A F T >X> S+ 0 0 0 -3,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.862 108.1 48.5 -70.2 -37.0 48.4 -26.5 34.8 129 148 A V H X S+ 0 0 3 -4,-1.5 4,-1.6 -3,-0.3 3,-0.9 0.937 110.9 48.7 -70.3 -50.9 44.4 -24.2 30.7 133 152 A V H 3< S+ 0 0 31 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.927 112.1 50.3 -51.6 -48.8 44.8 -25.1 27.0 134 153 A A H 3< S+ 0 0 26 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.707 117.6 39.9 -63.9 -19.0 41.9 -27.6 27.5 135 154 A A H S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.948 113.6 42.0 -50.8 -52.6 37.6 -22.4 24.5 138 157 A M H > S+ 0 0 35 -4,-0.3 4,-1.8 1,-0.2 -44,-0.4 0.897 115.9 50.9 -57.4 -39.0 34.9 -22.7 27.2 139 158 A L H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-1.7 0.867 103.7 56.4 -72.8 -35.6 36.5 -19.8 29.1 140 159 A K H <5S+ 0 0 87 -4,-4.0 -1,-0.2 3,-0.2 -2,-0.2 0.906 107.7 52.3 -56.6 -40.9 36.6 -17.5 26.1 141 160 A Q H <5S+ 0 0 149 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.911 117.6 33.9 -60.1 -49.3 32.8 -18.1 25.9 142 161 A S H <5S- 0 0 40 -4,-1.8 -1,-0.2 -48,-0.4 -2,-0.2 0.655 105.2-123.1 -81.1 -12.5 32.0 -17.2 29.5 143 162 A N T <5 + 0 0 71 -4,-1.7 47,-0.2 -5,-0.2 -3,-0.2 0.894 59.9 171.5 65.7 41.5 34.7 -14.6 29.6 144 163 A G < - 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