==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 16-FEB-11 3QQP . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.LOENZE,S.SCHIMANSKI-BREVES,C.K.ENGEL . 1056 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 791 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 85 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 424 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 3.2 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 0 0 4 5 1 0 1 5 4 4 4 4 2 2 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 2 2 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 53 0, 0.0 234,-0.1 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0 153.0 -12.1 12.9 29.6 2 21 A Q - 0 0 151 1,-0.1 232,-0.0 232,-0.1 3,-0.0 -0.855 360.0-149.4 -96.0 118.9 -11.0 16.1 31.4 3 22 A P - 0 0 50 0, 0.0 2,-0.7 0, 0.0 230,-0.2 0.130 26.8 -78.2 -78.4-163.9 -7.2 15.9 32.3 4 23 A L - 0 0 67 228,-2.8 2,-1.4 2,-0.1 230,-0.1 -0.898 29.3-154.8-102.9 106.6 -5.0 17.3 35.2 5 24 A N + 0 0 147 -2,-0.7 2,-0.2 2,-0.0 -1,-0.1 -0.107 65.3 102.3 -75.3 40.7 -4.2 21.0 34.5 6 25 A E S S- 0 0 108 -2,-1.4 2,-0.3 226,-0.1 -2,-0.1 -0.736 79.0-107.7-116.7 160.8 -1.1 20.6 36.7 7 26 A E - 0 0 168 -2,-0.2 2,-0.2 1,-0.1 -2,-0.0 -0.689 48.5 -92.8 -88.9 146.6 2.6 20.2 35.7 8 27 A F - 0 0 29 -2,-0.3 -1,-0.1 2,-0.0 220,-0.1 -0.433 41.4-173.8 -67.1 133.1 4.1 16.6 36.1 9 28 A R > - 0 0 110 -2,-0.2 3,-2.7 219,-0.1 4,-0.3 -0.997 29.7-133.2-126.3 129.1 5.9 15.9 39.4 10 29 A P G > S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.710 105.9 67.1 -51.8 -22.9 7.7 12.6 40.0 11 30 A E G 3 S+ 0 0 109 1,-0.2 3,-0.3 2,-0.2 -3,-0.0 0.548 78.4 79.7 -74.2 -12.9 6.0 12.4 43.5 12 31 A M G < S+ 0 0 22 -3,-2.7 -1,-0.2 1,-0.2 -4,-0.0 0.677 101.3 40.9 -63.2 -23.3 2.6 11.9 41.6 13 32 A L S X S+ 0 0 2 -3,-1.1 3,-2.4 -4,-0.3 28,-0.2 0.499 81.9 125.3-102.4 -16.4 3.8 8.2 41.2 14 33 A Q T 3 S- 0 0 138 -3,-0.3 26,-0.3 1,-0.3 25,-0.2 -0.293 92.0 -3.9 -53.1 120.9 5.3 7.7 44.7 15 34 A G T 3 S+ 0 0 34 24,-2.9 -1,-0.3 1,-0.2 25,-0.2 0.486 96.4 144.9 71.3 6.1 3.6 4.6 46.2 16 35 A K < - 0 0 86 -3,-2.4 25,-3.1 19,-0.1 2,-0.7 -0.512 52.0-125.5 -72.6 141.6 1.2 4.2 43.2 17 36 A K E +a 41 0A 53 23,-0.2 78,-2.8 -2,-0.2 79,-2.1 -0.853 37.8 178.2 -96.8 106.8 0.5 0.6 42.2 18 37 A V E -ab 42 96A 0 23,-2.9 25,-2.2 -2,-0.7 2,-0.4 -0.939 24.9-153.4-117.5 137.6 1.3 0.0 38.5 19 38 A I E -ab 43 97A 0 77,-2.1 79,-2.5 -2,-0.4 2,-0.5 -0.901 13.7-165.9 -99.7 129.5 1.2 -3.0 36.2 20 39 A V E -ab 44 98A 0 23,-3.0 25,-1.7 -2,-0.4 3,-0.4 -0.974 6.6-158.2-118.6 115.1 3.7 -2.8 33.3 21 40 A T S S+ 0 0 0 77,-2.1 25,-0.1 -2,-0.5 23,-0.0 -0.604 75.7 18.1 -89.2 152.7 3.0 -5.3 30.5 22 41 A G S S+ 0 0 18 -2,-0.2 6,-0.6 23,-0.2 7,-0.2 0.956 84.8 144.6 50.8 55.6 5.8 -6.4 28.0 23 42 A A + 0 0 0 22,-2.6 23,-0.2 -3,-0.4 -1,-0.1 0.161 35.8 88.7-113.8 16.6 8.3 -5.0 30.6 24 43 A S S S- 0 0 16 21,-0.3 2,-0.2 31,-0.0 -1,-0.1 0.623 104.0 -1.6 -87.5 -18.9 11.3 -7.5 30.3 25 44 A K S > S+ 0 0 110 -3,-0.2 4,-1.9 30,-0.0 3,-0.5 -0.836 107.8 18.4-152.7-176.3 12.8 -5.3 27.5 26 45 A G H > S- 0 0 12 -2,-0.2 4,-1.5 1,-0.2 174,-0.0 0.015 119.1 -11.3 48.8-136.0 12.4 -2.2 25.3 27 46 A I H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 134.2 58.3 -62.9 -38.2 9.9 0.6 26.3 28 47 A G H > S+ 0 0 0 -6,-0.6 4,-2.6 -3,-0.5 -5,-0.3 0.923 105.1 48.2 -56.5 -51.7 8.3 -1.6 29.1 29 48 A R H X S+ 0 0 75 -4,-1.9 4,-2.8 -7,-0.2 -1,-0.2 0.895 111.6 51.6 -55.6 -45.6 11.6 -2.1 30.9 30 49 A E H X S+ 0 0 23 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.874 109.9 48.5 -60.9 -40.6 12.3 1.7 30.7 31 50 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 111.2 49.9 -65.6 -46.3 8.8 2.5 32.1 32 51 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.946 112.4 48.9 -54.6 -50.9 9.3 -0.0 35.0 33 52 A Y H X S+ 0 0 35 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.867 111.0 48.5 -56.6 -45.6 12.7 1.6 35.7 34 53 A H H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.893 112.2 49.1 -62.7 -42.0 11.2 5.2 35.7 35 54 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 -2,-0.2 0.826 108.7 54.7 -65.5 -36.5 8.4 4.0 38.1 36 55 A A H ><5S+ 0 0 0 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.955 107.6 47.8 -63.0 -51.7 11.1 2.4 40.3 37 56 A K H 3<5S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.901 109.6 55.1 -56.5 -39.4 13.1 5.8 40.6 38 57 A M T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.514 119.2-115.4 -70.7 -7.3 9.7 7.5 41.4 39 58 A G T < 5 + 0 0 15 -3,-2.0 -24,-2.9 -4,-0.2 -3,-0.2 0.845 59.4 159.5 73.3 39.3 9.2 5.0 44.3 40 59 A A < - 0 0 0 -5,-2.7 25,-1.0 -26,-0.3 26,-1.0 -0.514 48.6-111.9 -89.2 158.6 6.2 3.3 42.8 41 60 A H E -ac 17 66A 56 -25,-3.1 -23,-2.9 -28,-0.2 2,-0.4 -0.803 46.8-164.1 -84.9 124.6 4.8 -0.2 43.6 42 61 A V E -ac 18 67A 1 24,-1.7 26,-1.4 -2,-0.5 2,-0.4 -0.961 27.1-176.1-125.9 139.1 5.4 -2.2 40.4 43 62 A V E -ac 19 68A 0 -25,-2.2 -23,-3.0 -2,-0.4 2,-0.3 -0.995 19.8-167.7-127.8 119.3 4.2 -5.5 38.9 44 63 A V E -ac 20 69A 1 24,-2.8 26,-1.8 -2,-0.4 2,-0.3 -0.824 4.7-171.8-111.2 150.4 5.9 -6.5 35.5 45 64 A T + 0 0 2 -25,-1.7 -22,-2.6 -2,-0.3 -21,-0.3 -0.967 22.8 129.0-142.9 155.1 5.0 -9.2 33.0 46 65 A A - 0 0 19 24,-0.5 26,-2.0 -2,-0.3 24,-0.1 -0.830 64.6 -94.9-176.4-175.3 6.4 -10.9 29.8 47 66 A R S S+ 0 0 143 -2,-0.2 2,-0.7 24,-0.2 26,-0.1 0.789 101.2 80.0 -85.9 -30.8 6.8 -14.6 29.0 48 67 A S > - 0 0 46 1,-0.1 4,-2.4 24,-0.1 5,-0.1 -0.737 52.7-173.1 -90.1 108.1 10.5 -14.9 30.1 49 68 A K H > S+ 0 0 105 -2,-0.7 4,-2.8 2,-0.2 -1,-0.1 0.826 85.3 61.6 -62.0 -35.7 11.1 -15.2 33.9 50 69 A E H > S+ 0 0 96 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.932 111.4 36.1 -58.8 -51.3 14.9 -14.8 33.3 51 70 A T H >> S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.920 115.4 55.0 -71.1 -43.0 14.7 -11.4 31.8 52 71 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.895 103.4 58.4 -55.4 -41.9 11.8 -10.3 34.1 53 72 A Q H 3X S+ 0 0 85 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.867 105.3 48.6 -53.4 -44.4 14.1 -11.3 37.1 54 73 A K H S+ 0 0 1 -4,-2.6 5,-2.1 2,-0.2 4,-0.6 0.876 108.1 47.0 -56.4 -43.6 13.8 -1.9 40.0 60 79 A L H ><5S+ 0 0 94 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.961 111.7 50.7 -66.0 -45.2 14.6 -2.5 43.7 61 80 A E H 3<5S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 107.1 56.0 -55.9 -39.7 18.1 -1.0 43.3 62 81 A L H 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.589 128.0 -94.9 -71.7 -14.4 16.5 2.1 41.6 63 82 A G T <<5 + 0 0 43 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.595 60.2 168.9 111.5 19.8 14.3 2.7 44.6 64 83 A A < - 0 0 11 -5,-2.1 -1,-0.2 -25,-0.1 -23,-0.2 -0.323 41.3-133.0 -62.4 142.6 10.9 1.1 43.9 65 84 A A S S- 0 0 52 -25,-1.0 2,-0.3 1,-0.3 -24,-0.2 0.940 91.6 -17.6 -57.3 -43.2 8.4 0.8 46.8 66 85 A S E -c 41 0A 22 -26,-1.0 -24,-1.7 2,-0.0 2,-0.3 -0.959 63.4-161.2-157.6 157.2 8.1 -2.9 45.6 67 86 A A E +c 42 0A 3 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.943 18.6 157.8-150.3 123.2 8.9 -4.9 42.4 68 87 A H E -c 43 0A 84 -26,-1.4 -24,-2.8 -2,-0.3 2,-0.3 -0.982 21.8-148.4-145.3 150.2 7.5 -8.3 41.3 69 88 A Y E -c 44 0A 82 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.875 5.3-167.7-118.8 154.3 7.1 -10.2 38.1 70 89 A I - 0 0 17 -26,-1.8 -24,-0.5 -2,-0.3 2,-0.4 -0.961 21.0-146.6-138.0 117.5 4.5 -12.7 36.9 71 90 A A + 0 0 40 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.744 39.2 108.1 -95.3 140.5 5.4 -14.7 33.7 72 91 A G - 0 0 20 -26,-2.0 2,-0.4 -2,-0.4 -26,-0.2 -0.934 60.4 -83.1 176.3 175.3 3.0 -15.9 31.1 73 92 A T > - 0 0 42 -2,-0.3 3,-1.9 -26,-0.1 7,-0.3 -0.841 14.7-148.4-103.7 131.7 1.7 -15.3 27.5 74 93 A M T 3 S+ 0 0 12 -2,-0.4 53,-0.2 1,-0.3 -1,-0.1 0.352 95.5 81.3 -78.9 11.3 -0.9 -12.7 26.5 75 94 A E T 3 S+ 0 0 81 1,-0.1 2,-0.5 52,-0.1 -1,-0.3 0.746 86.4 69.0 -77.8 -27.7 -1.8 -15.3 23.8 76 95 A D <> - 0 0 74 -3,-1.9 4,-2.0 1,-0.1 -1,-0.1 -0.860 66.4-167.5-100.3 116.4 -3.7 -16.9 26.8 77 96 A M H > S+ 0 0 31 -2,-0.5 4,-1.9 2,-0.2 -1,-0.1 0.668 89.8 58.9 -78.2 -19.7 -6.8 -14.9 28.1 78 97 A T H > S+ 0 0 77 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.919 108.2 44.7 -75.2 -43.5 -6.9 -17.0 31.2 79 98 A F H > S+ 0 0 26 -6,-0.2 4,-3.7 2,-0.2 -2,-0.2 0.956 112.5 53.4 -59.8 -52.2 -3.4 -16.0 32.1 80 99 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 -7,-0.3 -2,-0.2 0.893 113.0 42.0 -47.9 -50.2 -4.3 -12.3 31.3 81 100 A E H X S+ 0 0 117 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.876 119.0 44.2 -66.6 -44.4 -7.4 -12.3 33.6 82 101 A Q H X S+ 0 0 116 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.915 107.1 60.3 -68.6 -45.3 -5.6 -14.1 36.5 83 102 A F H X S+ 0 0 1 -4,-3.7 4,-2.8 -5,-0.2 -2,-0.2 0.877 105.6 48.4 -47.1 -49.4 -2.4 -12.0 36.1 84 103 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.933 112.5 47.0 -58.7 -52.9 -4.5 -8.9 36.9 85 104 A A H X S+ 0 0 60 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.954 116.5 44.4 -52.1 -57.9 -6.2 -10.4 40.0 86 105 A Q H X S+ 0 0 112 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.901 114.5 48.2 -53.3 -54.7 -2.9 -11.7 41.4 87 106 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.917 115.8 44.6 -53.4 -50.5 -0.9 -8.5 40.6 88 107 A G H X>S+ 0 0 3 -4,-2.7 5,-2.1 2,-0.2 4,-1.5 0.803 112.2 51.7 -65.9 -34.7 -3.7 -6.4 42.3 89 108 A K H <5S+ 0 0 188 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.883 109.0 52.5 -69.7 -37.6 -4.0 -8.7 45.2 90 109 A L H <5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.9 34.1 -64.2 -42.3 -0.1 -8.5 45.7 91 110 A M H <5S- 0 0 19 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.618 107.9-120.8 -89.9 -14.4 -0.2 -4.7 45.8 92 111 A G T <5S- 0 0 57 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.2 0.822 82.6 -3.4 75.5 34.5 -3.6 -4.3 47.5 93 112 A G S > + 0 0 19 1,-0.2 4,-1.4 2,-0.1 3,-1.0 -0.500 9.5 161.9 -81.2 66.8 -0.4 -15.4 6.8 114 133 A I H 3> S+ 0 0 29 -2,-1.9 4,-3.0 1,-0.3 -1,-0.2 0.844 70.7 64.6 -55.5 -37.5 -3.9 -15.2 8.4 115 134 A H H 3> S+ 0 0 142 1,-0.2 4,-2.5 -3,-0.2 -1,-0.3 0.858 101.7 48.2 -55.7 -38.9 -2.3 -16.8 11.5 116 135 A H H <> S+ 0 0 40 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.855 111.0 50.8 -71.4 -33.1 -0.2 -13.7 12.0 117 136 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.942 113.7 44.7 -68.7 -44.3 -3.2 -11.5 11.5 118 137 A R H X S+ 0 0 77 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.898 113.8 49.1 -66.4 -43.3 -5.2 -13.5 14.2 119 138 A K H X S+ 0 0 83 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.921 110.1 51.9 -61.6 -46.9 -2.2 -13.6 16.6 120 139 A S H X>S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.6 0.944 112.4 46.1 -55.7 -47.8 -1.7 -9.8 16.2 121 140 A M H X>S+ 0 0 3 -4,-2.3 5,-3.0 3,-0.2 4,-1.0 0.873 116.8 44.1 -63.0 -41.4 -5.4 -9.3 17.0 122 141 A E H <>S+ 0 0 35 -4,-2.3 5,-2.9 3,-0.2 -2,-0.2 0.956 125.4 29.4 -67.6 -54.3 -5.4 -11.7 20.1 123 142 A V H <5S+ 0 0 8 -4,-3.0 5,-0.2 3,-0.2 -3,-0.2 0.928 128.7 37.4 -73.1 -51.0 -2.0 -10.5 21.7 124 143 A N H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.694 136.7 10.9 -79.2 -25.1 -2.0 -6.8 20.6 125 144 A F T X S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.887 108.1 46.9 -62.9 -42.8 -5.6 -5.5 26.2 129 148 A V H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.4 5,-0.2 0.947 112.2 50.5 -63.6 -49.3 -9.5 -5.7 26.5 130 149 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 111.8 47.8 -54.8 -46.1 -9.2 -8.8 28.8 131 150 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.935 113.1 47.9 -62.7 -46.8 -6.7 -6.9 31.0 132 151 A T H X S+ 0 0 1 -4,-2.3 4,-1.3 2,-0.2 3,-0.2 0.919 112.7 48.5 -59.3 -51.5 -8.9 -3.7 31.1 133 152 A V H >< S+ 0 0 34 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.926 114.4 46.4 -53.2 -50.7 -12.1 -5.8 32.0 134 153 A A H 3< S+ 0 0 31 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.762 118.0 42.5 -64.7 -29.5 -10.2 -7.6 34.8 135 154 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.521 87.8 88.0-100.8 -9.0 -8.7 -4.4 36.1 136 155 A L H S+ 0 0 82 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.917 113.9 42.1 -55.3 -44.1 -13.1 -2.6 39.5 138 157 A M H > S+ 0 0 42 -4,-0.2 4,-1.5 2,-0.2 -44,-0.4 0.846 116.3 48.2 -67.1 -40.7 -9.7 -1.9 41.1 139 158 A L H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 4,-0.2 0.785 108.7 54.1 -72.5 -29.7 -9.1 1.2 38.8 140 159 A K H ><5S+ 0 0 95 -4,-3.1 3,-0.6 3,-0.2 -1,-0.2 0.865 107.5 53.1 -67.7 -37.6 -12.7 2.5 39.6 141 160 A Q H 3<5S+ 0 0 170 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.926 116.9 34.4 -61.5 -51.8 -11.8 2.3 43.3 142 161 A S T 3<5S- 0 0 44 -4,-1.5 -1,-0.2 -48,-0.4 -2,-0.2 0.250 108.4-118.3 -89.1 5.8 -8.6 4.4 43.1 143 162 A N T < 5 + 0 0 83 -3,-0.6 -3,-0.2 -4,-0.2 -4,-0.1 0.920 63.4 172.5 47.2 50.1 -10.0 6.7 40.3 144 163 A G < - 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0 0 70 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.338 35.6-138.0 -65.3 144.2 -9.9 26.0 -11.4 1036 254 D E S S+ 0 0 52 1,-0.2 -42,-2.6 -43,-0.2 2,-0.3 0.888 86.1 19.4 -71.7 -38.4 -11.1 28.1 -8.4 1037 255 D E E -b 994 0H 32 -44,-0.2 2,-0.4 -7,-0.1 -1,-0.2 -0.994 60.2-162.5-140.6 142.5 -7.7 27.8 -6.8 1038 256 D V E -b 995 0H 9 -44,-2.4 -42,-3.4 -2,-0.3 2,-0.4 -0.991 8.5-164.8-122.3 124.6 -4.1 27.0 -7.8 1039 257 D Y E +b 996 0H 47 -2,-0.4 2,-0.3 -44,-0.2 -42,-0.2 -0.933 13.7 169.3-112.8 130.4 -1.4 26.0 -5.3 1040 258 D Y E +b 997 0H 20 -44,-2.0 -42,-2.8 -2,-0.4 2,-0.3 -0.890 16.2 124.1-147.5 114.3 2.3 26.1 -6.3 1041 259 D D - 0 0 25 -2,-0.3 6,-0.1 -44,-0.2 -24,-0.1 -0.944 62.1-114.6-161.6 152.9 5.3 25.8 -4.0 1042 260 D S S S+ 0 0 49 -43,-0.3 2,-0.3 -26,-0.3 -25,-0.1 0.735 97.2 79.9 -65.7 -25.0 8.4 23.5 -3.8 1043 261 D S > - 0 0 31 -27,-0.1 4,-1.1 1,-0.1 -2,-0.1 -0.667 61.6-163.8 -86.3 137.7 7.1 22.1 -0.4 1044 262 D L H > S+ 0 0 86 -2,-0.3 4,-1.1 2,-0.2 5,-0.1 0.608 88.2 66.5 -97.8 -12.3 4.4 19.4 -0.5 1045 263 D W H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.1 -1,-0.1 0.809 104.7 50.0 -69.2 -35.6 3.4 19.8 3.2 1046 264 D T H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.986 105.6 54.2 -62.2 -63.8 2.3 23.3 2.0 1047 265 D T H < S+ 0 0 33 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.673 115.1 38.7 -49.4 -32.3 0.2 22.0 -1.0 1048 266 D L H < S+ 0 0 35 -4,-1.1 3,-0.5 2,-0.1 -1,-0.2 0.844 116.4 46.2 -92.6 -36.5 -1.9 19.6 1.1 1049 267 D L H < S+ 0 0 4 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.707 96.9 77.2 -76.9 -22.9 -2.4 21.6 4.4 1050 268 D I S < S+ 0 0 17 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 0.753 72.5 88.4 -61.3 -33.3 -3.4 24.8 2.5 1051 269 D R - 0 0 134 -3,-0.5 -260,-0.1 -4,-0.3 -3,-0.0 -0.365 68.0-145.7 -69.7 148.8 -7.0 23.8 1.5 1052 270 D N > + 0 0 43 1,-0.1 4,-2.0 2,-0.1 3,-0.4 -0.748 23.5 174.0-123.7 88.3 -9.7 24.7 4.0 1053 271 D P H > S+ 0 0 47 0, 0.0 4,-3.1 0, 0.0 -1,-0.1 0.848 85.7 57.1 -57.4 -34.5 -12.7 22.2 4.3 1054 272 D S H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.887 106.3 48.7 -64.2 -39.8 -14.1 24.2 7.2 1055 273 D R H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.912 113.3 48.8 -63.9 -43.4 -14.2 27.4 5.0 1056 274 D K H < S+ 0 0 89 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.914 111.3 48.1 -62.3 -47.3 -16.0 25.3 2.4 1057 275 D I H < S+ 0 0 30 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.968 113.9 47.2 -57.2 -54.0 -18.5 23.9 4.9 1058 276 D L H < 0 0 29 -4,-2.8 -1,-0.2 -272,-0.2 -2,-0.2 0.777 360.0 360.0 -55.5 -33.3 -19.1 27.4 6.2 1059 277 D E < 0 0 61 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.968 360.0 360.0 -78.6 360.0 -19.5 28.6 2.5