==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 09-NOV-12 4HX5 . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.LOENZE,S.SCHIMANSKI-BREVES,C.K.ENGEL . 1049 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 787 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 13.2 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 . 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 . 84 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.3 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 7 0 0 1 6 4 5 3 4 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 13 2 3 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 . 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 25 A E 0 0 173 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.5 27.9 16.6 36.1 2 26 A E - 0 0 163 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.413 360.0 -93.6 -76.0 157.4 31.4 15.8 35.1 3 27 A F - 0 0 39 -2,-0.1 -1,-0.1 3,-0.0 220,-0.1 -0.528 39.5-173.9 -73.7 141.7 32.7 12.2 35.6 4 28 A R > - 0 0 110 -2,-0.2 3,-2.7 219,-0.1 4,-0.3 -0.997 30.1-132.3-134.1 127.5 34.7 11.5 38.9 5 29 A P G > S+ 0 0 60 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.746 104.5 71.5 -51.0 -24.7 36.4 8.1 39.5 6 30 A E G > S+ 0 0 113 1,-0.3 3,-0.5 2,-0.2 -3,-0.0 0.645 79.5 75.0 -64.5 -20.9 34.7 8.1 43.0 7 31 A M G < S+ 0 0 34 -3,-2.7 -1,-0.3 1,-0.2 -4,-0.0 0.768 100.9 43.2 -60.9 -29.4 31.3 7.4 41.2 8 32 A L G X S+ 0 0 4 -3,-1.6 3,-2.1 -4,-0.3 -1,-0.2 0.530 84.2 122.4 -94.1 -9.3 32.6 3.8 40.7 9 33 A Q T < S- 0 0 128 -3,-0.5 26,-0.3 -4,-0.3 25,-0.2 -0.341 92.2 -4.7 -59.2 122.6 34.0 3.4 44.3 10 34 A G T 3 S+ 0 0 36 24,-3.2 -1,-0.3 1,-0.2 25,-0.2 0.489 97.5 146.1 69.2 5.1 32.3 0.4 45.9 11 35 A K < - 0 0 88 -3,-2.1 25,-3.4 19,-0.1 2,-0.6 -0.500 51.6-125.7 -73.6 143.9 30.0 -0.1 42.9 12 36 A K E +a 36 0A 54 23,-0.2 78,-2.7 -2,-0.1 79,-1.9 -0.844 39.8 178.6 -94.9 111.2 29.1 -3.7 42.0 13 37 A V E -ab 37 91A 0 23,-2.7 25,-2.0 -2,-0.6 2,-0.4 -0.975 25.1-158.1-127.2 135.4 30.0 -4.3 38.3 14 38 A I E -ab 38 92A 0 77,-2.3 79,-2.6 -2,-0.4 2,-0.4 -0.872 11.3-172.5-102.3 136.2 29.8 -7.2 35.8 15 39 A V E -ab 39 93A 0 23,-2.2 25,-1.5 -2,-0.4 3,-0.4 -0.991 6.8-160.0-127.2 122.5 32.1 -7.1 32.8 16 40 A T S S+ 0 0 0 77,-2.1 25,-0.2 -2,-0.4 23,-0.0 -0.588 76.4 25.5 -96.0 160.7 31.7 -9.8 30.1 17 41 A G S S+ 0 0 17 23,-0.3 6,-0.5 -2,-0.2 3,-0.4 0.874 82.7 141.1 51.7 42.6 34.4 -10.6 27.5 18 42 A A + 0 0 0 22,-2.2 23,-0.2 -3,-0.4 -1,-0.1 0.190 36.4 88.6-102.5 14.4 36.9 -9.3 30.1 19 43 A S S S- 0 0 13 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.684 104.3 -4.2 -83.4 -19.4 39.8 -11.8 29.8 20 44 A K S >> S+ 0 0 105 -3,-0.4 4,-1.6 30,-0.0 3,-0.5 -0.905 106.7 18.9-155.9 179.4 41.4 -9.6 27.0 21 45 A G H 3> S- 0 0 11 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.099 117.7 -13.1 56.2-140.5 41.0 -6.5 24.9 22 46 A I H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 135.5 57.3 -61.5 -42.1 38.6 -3.7 25.8 23 47 A G H <> S+ 0 0 0 -6,-0.5 4,-2.3 -3,-0.5 -5,-0.3 0.909 107.1 47.4 -57.3 -47.2 36.8 -5.8 28.4 24 48 A R H X S+ 0 0 69 -4,-1.6 4,-2.2 -7,-0.4 -1,-0.2 0.916 111.0 51.6 -61.3 -43.3 40.1 -6.5 30.3 25 49 A E H X S+ 0 0 19 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.841 108.6 52.5 -62.6 -36.0 40.9 -2.7 30.2 26 50 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.928 106.8 51.3 -65.7 -45.5 37.5 -1.9 31.6 27 51 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 110.9 50.6 -57.6 -42.0 38.0 -4.4 34.5 28 52 A Y H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.915 110.5 46.9 -61.6 -46.8 41.4 -2.5 35.2 29 53 A H H X S+ 0 0 26 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.918 114.2 48.3 -61.7 -42.8 39.8 1.0 35.2 30 54 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.2 0.893 111.0 51.1 -62.1 -43.1 37.0 -0.3 37.5 31 55 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.938 108.9 50.2 -59.3 -50.0 39.7 -1.9 39.8 32 56 A K H 3<5S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 109.3 53.3 -58.2 -33.8 41.7 1.4 40.0 33 57 A M T 3<5S- 0 0 20 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.461 118.9-113.4 -80.7 -6.2 38.4 3.1 41.0 34 58 A G T < 5 + 0 0 15 -3,-1.8 -24,-3.2 -4,-0.2 -3,-0.2 0.837 61.5 154.3 76.8 35.4 37.8 0.6 43.8 35 59 A A < - 0 0 0 -5,-2.2 25,-1.3 -26,-0.3 26,-1.0 -0.488 51.4-110.4 -88.0 162.5 34.7 -1.1 42.4 36 60 A H E -ac 12 61A 49 -25,-3.4 -23,-2.7 24,-0.2 2,-0.4 -0.832 45.4-163.5 -89.6 128.3 33.5 -4.6 43.1 37 61 A V E -ac 13 62A 0 24,-1.9 26,-1.7 -2,-0.5 2,-0.4 -0.978 26.2-175.8-127.4 134.3 34.2 -6.6 39.9 38 62 A V E -ac 14 63A 0 -25,-2.0 -23,-2.2 -2,-0.4 2,-0.3 -0.993 20.6-167.7-122.1 115.5 32.9 -9.9 38.5 39 63 A V E -ac 15 64A 2 24,-2.5 26,-1.8 -2,-0.4 2,-0.3 -0.790 4.3-171.7-104.2 151.3 34.6 -10.8 35.1 40 64 A T + 0 0 3 -25,-1.5 -22,-2.2 -2,-0.3 -23,-0.3 -0.979 23.1 127.8-145.6 156.0 33.6 -13.5 32.6 41 65 A A - 0 0 17 24,-0.5 26,-1.8 -2,-0.3 24,-0.1 -0.835 66.1 -91.7 177.4 176.8 34.9 -15.1 29.4 42 66 A R S S+ 0 0 138 -2,-0.2 2,-0.7 24,-0.2 26,-0.1 0.831 100.4 82.2 -78.1 -32.3 35.4 -18.8 28.5 43 67 A S > - 0 0 50 1,-0.2 4,-2.0 24,-0.1 5,-0.1 -0.685 50.6-174.3 -85.3 111.0 39.2 -19.0 29.6 44 68 A K H > S+ 0 0 109 -2,-0.7 4,-2.8 2,-0.2 5,-0.2 0.880 84.9 59.6 -64.9 -37.9 39.8 -19.5 33.4 45 69 A E H > S+ 0 0 102 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.905 111.3 38.0 -59.4 -49.4 43.6 -19.1 32.8 46 70 A T H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 115.2 54.1 -72.5 -36.3 43.4 -15.6 31.4 47 71 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.880 103.2 57.5 -63.7 -38.8 40.5 -14.6 33.8 48 72 A Q H X S+ 0 0 88 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 108.2 46.8 -55.8 -44.4 42.8 -15.6 36.8 49 73 A K H X S+ 0 0 148 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.854 111.4 50.6 -69.9 -34.7 45.4 -13.2 35.6 50 74 A V H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.923 112.1 48.6 -66.3 -45.5 42.8 -10.4 35.1 51 75 A V H X S+ 0 0 19 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.941 110.8 48.6 -62.2 -49.1 41.5 -11.0 38.6 52 76 A S H X S+ 0 0 66 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.906 113.8 47.7 -60.9 -37.1 45.0 -10.9 40.3 53 77 A H H X S+ 0 0 65 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.870 107.5 55.5 -69.3 -35.9 45.8 -7.7 38.5 54 78 A C H X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.5 0.905 108.1 49.1 -60.3 -43.6 42.5 -6.1 39.5 55 79 A L H ><5S+ 0 0 94 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.875 109.4 52.0 -63.7 -38.0 43.3 -6.8 43.1 56 80 A E H 3<5S+ 0 0 154 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 106.2 55.4 -65.9 -33.8 46.8 -5.2 42.7 57 81 A L H 3<5S- 0 0 50 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.557 128.1 -96.3 -77.8 -12.6 45.2 -2.1 41.2 58 82 A G T <<5 + 0 0 44 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.656 58.5 170.5 104.9 22.9 43.0 -1.6 44.3 59 83 A A < - 0 0 11 -5,-2.1 -1,-0.2 1,-0.1 -23,-0.2 -0.362 40.1-131.8 -61.7 142.4 39.6 -3.3 43.4 60 84 A A S S- 0 0 56 -25,-1.3 2,-0.3 1,-0.3 -24,-0.2 0.816 90.4 -17.5 -62.4 -32.2 37.3 -3.6 46.4 61 85 A S E -c 36 0A 21 -26,-1.0 -24,-1.9 2,-0.0 2,-0.3 -0.924 64.5-165.8-166.9 153.8 36.9 -7.2 45.2 62 86 A A E +c 37 0A 3 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.944 15.8 160.0-151.8 124.9 37.5 -9.1 42.0 63 87 A H E -c 38 0A 87 -26,-1.7 -24,-2.5 -2,-0.3 2,-0.3 -0.957 22.3-143.5-142.8 155.8 36.3 -12.6 41.0 64 88 A Y E -c 39 0A 80 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.913 6.8-167.3-121.2 153.5 35.8 -14.5 37.7 65 89 A I - 0 0 16 -26,-1.8 -24,-0.5 -2,-0.3 2,-0.3 -0.973 21.6-147.2-137.1 119.5 33.2 -17.0 36.6 66 90 A A + 0 0 40 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.760 37.9 112.6 -95.4 138.3 34.2 -18.9 33.4 67 91 A G - 0 0 17 -26,-1.8 2,-0.5 -2,-0.3 -26,-0.1 -0.942 58.9 -86.2 174.6 167.9 31.7 -20.1 30.7 68 92 A T > - 0 0 41 -2,-0.3 3,-1.6 -26,-0.1 7,-0.3 -0.829 16.7-149.8 -98.2 132.8 30.4 -19.7 27.2 69 93 A M T 3 S+ 0 0 12 -2,-0.5 53,-0.1 1,-0.3 -1,-0.1 0.375 93.2 79.5 -78.9 5.5 27.8 -17.2 26.2 70 94 A E T 3 S+ 0 0 74 1,-0.1 2,-0.7 51,-0.1 -1,-0.3 0.650 85.2 74.0 -75.3 -21.3 26.6 -19.6 23.5 71 95 A D <> - 0 0 77 -3,-1.6 4,-1.9 1,-0.1 -1,-0.1 -0.891 67.0-167.6-101.3 107.2 24.9 -21.3 26.5 72 96 A M H > S+ 0 0 31 -2,-0.7 4,-2.0 2,-0.2 -1,-0.1 0.762 88.6 57.4 -67.2 -28.8 21.8 -19.3 27.7 73 97 A T H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.927 107.3 48.5 -67.4 -44.8 21.6 -21.3 30.9 74 98 A F H > S+ 0 0 27 2,-0.2 4,-3.1 -6,-0.2 -2,-0.2 0.938 110.0 52.5 -57.9 -48.7 25.2 -20.3 31.8 75 99 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 -7,-0.3 -1,-0.2 0.898 113.6 43.0 -53.7 -47.3 24.3 -16.6 31.0 76 100 A E H X S+ 0 0 118 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.911 118.0 44.2 -66.8 -47.2 21.3 -16.7 33.3 77 101 A Q H X S+ 0 0 119 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.815 108.1 60.2 -69.4 -32.9 23.1 -18.6 36.1 78 102 A F H X S+ 0 0 1 -4,-3.1 4,-2.9 -5,-0.3 5,-0.2 0.940 105.9 46.6 -58.8 -49.5 26.2 -16.3 35.7 79 103 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.897 113.1 48.5 -59.8 -46.6 24.2 -13.2 36.6 80 104 A A H X S+ 0 0 60 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.940 115.4 45.4 -59.2 -47.3 22.5 -14.8 39.6 81 105 A Q H X S+ 0 0 113 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.927 114.6 46.0 -62.0 -51.4 25.9 -16.1 40.9 82 106 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 6,-0.2 0.882 116.1 46.3 -60.4 -44.2 27.8 -12.7 40.3 83 107 A G H X>S+ 0 0 2 -4,-2.4 5,-2.3 -5,-0.2 4,-1.4 0.884 111.9 50.0 -67.5 -40.7 25.0 -10.7 41.9 84 108 A K H <5S+ 0 0 186 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.886 111.4 51.1 -66.3 -35.1 24.7 -13.1 44.9 85 109 A L H <5S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.920 117.7 36.1 -67.2 -46.4 28.5 -12.8 45.4 86 110 A M H <5S- 0 0 15 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.598 110.5-119.2 -82.8 -11.4 28.6 -9.0 45.4 87 111 A G T <5S- 0 0 64 -4,-1.4 2,-0.3 -5,-0.2 -3,-0.2 0.773 81.5 -8.9 74.9 30.8 25.3 -8.7 47.2 88 112 A G S > + 0 0 21 1,-0.2 4,-1.3 2,-0.1 3,-0.7 -0.391 8.8 156.3 -77.0 67.8 28.3 -19.6 6.3 109 133 A I H 3> + 0 0 32 -2,-2.2 4,-2.7 1,-0.2 5,-0.2 0.836 68.2 65.4 -59.2 -37.2 24.8 -19.5 8.0 110 134 A H H 3> S+ 0 0 145 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.886 102.3 47.9 -55.3 -39.6 26.3 -21.2 11.1 111 135 A H H <> S+ 0 0 40 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.855 110.3 51.8 -71.2 -35.1 28.5 -18.1 11.7 112 136 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.937 114.2 43.0 -65.4 -45.5 25.5 -15.8 11.2 113 137 A R H X S+ 0 0 65 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.917 114.5 49.6 -67.7 -44.1 23.4 -17.7 13.8 114 138 A K H X S+ 0 0 94 -4,-2.7 4,-3.0 -5,-0.2 5,-0.4 0.925 111.2 50.1 -61.9 -44.0 26.4 -18.0 16.2 115 139 A S H X>S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.926 113.1 46.8 -58.3 -43.8 27.0 -14.2 15.9 116 140 A M H X>S+ 0 0 4 -4,-2.2 5,-2.8 3,-0.2 4,-0.9 0.904 115.6 45.2 -66.2 -40.7 23.3 -13.6 16.6 117 141 A E H <>S+ 0 0 36 -4,-2.7 5,-2.1 3,-0.2 -2,-0.2 0.933 124.7 30.5 -66.7 -50.6 23.2 -16.0 19.6 118 142 A V H <5S+ 0 0 8 -4,-3.0 5,-0.2 3,-0.2 -3,-0.2 0.934 126.5 37.9 -77.1 -53.0 26.5 -14.8 21.2 119 143 A N H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.667 136.0 11.6 -76.4 -23.9 26.7 -11.1 20.3 120 144 A F T X S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.877 108.0 46.9 -63.5 -39.5 22.9 -9.8 25.9 124 148 A V H X S+ 0 0 0 -4,-1.2 4,-2.8 -3,-0.2 -2,-0.2 0.932 112.4 49.2 -65.9 -48.9 19.1 -10.0 26.2 125 149 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 113.4 47.1 -58.2 -44.1 19.3 -13.1 28.5 126 150 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.871 112.4 49.3 -66.1 -40.7 21.9 -11.3 30.7 127 151 A T H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 111.4 48.8 -63.9 -47.5 19.8 -8.1 30.8 128 152 A V H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 3,-0.2 0.946 114.7 46.6 -57.4 -48.9 16.6 -10.2 31.8 129 153 A A H < S+ 0 0 28 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.817 118.9 40.6 -61.3 -36.5 18.6 -12.0 34.5 130 154 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.1 3,-0.3 0.665 91.1 88.6 -87.5 -25.2 20.1 -8.7 35.8 131 155 A L H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.872 83.9 51.8 -47.8 -50.2 17.1 -6.4 35.6 132 156 A P H > S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.930 115.4 43.4 -55.7 -44.2 15.5 -7.1 39.2 133 157 A M H > S+ 0 0 45 -4,-0.3 4,-1.2 -3,-0.3 -44,-0.4 0.871 115.0 49.3 -65.4 -40.9 18.9 -6.3 40.8 134 158 A L H X>S+ 0 0 0 -4,-2.2 5,-3.1 1,-0.2 4,-0.8 0.781 108.0 53.9 -69.1 -29.6 19.5 -3.2 38.5 135 159 A K H <5S+ 0 0 96 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.858 106.2 54.0 -68.5 -35.1 16.0 -1.9 39.3 136 160 A Q H <5S+ 0 0 178 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.829 119.4 32.3 -66.5 -35.8 16.9 -2.2 43.1 137 161 A S H <5S- 0 0 39 -4,-1.2 -1,-0.2 -48,-0.3 -2,-0.2 0.423 106.2-119.1-101.1 -5.3 20.0 -0.0 42.6 138 162 A N T <5 + 0 0 87 -4,-0.8 -3,-0.2 -3,-0.2 47,-0.1 0.941 62.4 175.3 57.2 47.4 18.6 2.2 39.8 139 163 A G < - 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0 0 16 -4,-2.7 2,-0.6 2,-0.1 -1,-0.4 -0.968 63.2-164.0-120.2 126.9 42.7 29.8 4.5 1005 232 D H + 0 0 132 -215,-2.6 2,-0.3 -2,-0.4 -4,-0.0 -0.932 39.7 110.7-116.1 106.5 44.3 26.4 3.7 1006 233 D M - 0 0 69 -2,-0.6 -2,-0.1 0, 0.0 -219,-0.0 -0.955 68.2 -73.5-166.4 158.1 42.1 23.9 1.9 1007 234 D Q - 0 0 160 -2,-0.3 2,-0.4 1,-0.1 26,-0.2 -0.194 39.9-147.9 -59.7 142.7 41.6 22.2 -1.5 1008 235 D A - 0 0 22 25,-0.1 -17,-0.3 24,-0.1 24,-0.1 -0.974 11.4-133.4-117.5 129.7 40.3 24.3 -4.4 1009 236 D A B -c 991 0I 4 -19,-2.5 -17,-2.6 -2,-0.4 2,-0.2 -0.489 37.7 -89.3 -79.4 151.5 38.2 22.7 -7.1 1010 237 D P > - 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 -0.469 25.2-141.8 -71.2 134.3 39.0 23.4 -10.8 1011 238 D K H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.760 99.2 56.7 -59.4 -34.5 37.3 26.5 -12.4 1012 239 D E H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 111.7 41.5 -66.8 -46.7 36.7 24.8 -15.8 1013 240 D E H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.879 113.9 54.2 -67.3 -39.4 34.8 21.9 -14.2 1014 241 D C H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.955 107.4 50.0 -56.9 -53.4 32.9 24.4 -11.9 1015 242 D A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 112.5 47.7 -53.3 -43.8 31.8 26.5 -14.9 1016 243 D L H X S+ 0 0 41 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.917 109.1 52.1 -64.7 -48.0 30.5 23.3 -16.7 1017 244 D E H X S+ 0 0 55 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.858 108.9 52.1 -59.8 -34.8 28.6 22.0 -13.6 1018 245 D I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.939 112.0 44.7 -63.8 -51.6 26.9 25.4 -13.3 1019 246 D I H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.891 112.1 53.7 -60.6 -43.8 25.7 25.3 -17.0 1020 247 D K H X S+ 0 0 59 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.956 110.4 45.7 -57.2 -52.7 24.6 21.6 -16.6 1021 248 D G H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -1,-0.2 0.850 115.1 47.4 -58.6 -40.5 22.4 22.4 -13.6 1022 249 D G H ><5S+ 0 0 0 -4,-2.0 3,-1.3 3,-0.2 -1,-0.2 0.944 113.5 46.9 -64.4 -51.1 20.9 25.5 -15.3 1023 250 D A H 3<5S+ 0 0 14 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.903 113.5 49.4 -58.1 -42.8 20.3 23.6 -18.6 1024 251 D L T 3<5S- 0 0 17 -4,-3.1 -228,-2.0 -5,-0.2 -1,-0.3 0.460 110.2-126.2 -77.6 -2.5 18.7 20.7 -16.5 1025 252 D R T < 5 + 0 0 28 -3,-1.3 -3,-0.2 -230,-0.2 -42,-0.2 0.826 46.7 171.2 59.8 34.6 16.5 23.2 -14.6 1026 253 D Q < - 0 0 73 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.477 37.3-136.1 -73.5 145.3 17.8 21.9 -11.2 1027 254 D E S S+ 0 0 39 1,-0.2 -42,-2.6 -43,-0.2 2,-0.4 0.927 86.6 15.4 -68.1 -47.2 16.8 24.0 -8.1 1028 255 D E E -b 985 0H 42 -44,-0.2 2,-0.4 -42,-0.1 -1,-0.2 -0.988 60.9-160.1-135.0 140.8 20.3 23.8 -6.6 1029 256 D V E -b 986 0H 8 -44,-2.3 -42,-3.7 -2,-0.4 2,-0.5 -0.971 10.9-162.0-114.6 130.4 23.7 22.8 -7.8 1030 257 D Y E +b 987 0H 36 -2,-0.4 2,-0.4 -44,-0.2 -42,-0.2 -0.971 13.4 172.0-114.6 126.2 26.4 21.9 -5.3 1031 258 D Y E +b 988 0H 22 -44,-2.5 -42,-2.6 -2,-0.5 2,-0.3 -0.912 15.9 133.6-138.8 111.9 30.0 22.0 -6.4 1032 259 D D - 0 0 26 -2,-0.4 6,-0.1 -44,-0.2 -24,-0.1 -0.972 57.7-116.5-150.5 158.9 32.9 21.5 -3.9 1033 260 D S S S+ 0 0 48 -2,-0.3 2,-0.5 -43,-0.3 -25,-0.1 0.805 96.1 68.7 -65.4 -37.8 36.2 19.5 -3.6 1034 261 D S S >> S- 0 0 46 -27,-0.1 2,-1.9 1,-0.1 3,-1.4 -0.813 70.7-147.2 -98.1 125.7 35.1 17.4 -0.6 1035 262 D L T 34 S+ 0 0 97 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 -0.562 96.5 68.5 -85.1 67.8 32.3 14.7 -0.9 1036 263 D W T 3> S+ 0 0 38 -2,-1.9 4,-1.2 -253,-0.0 -1,-0.2 0.141 97.8 49.5-147.7 -49.6 31.2 15.6 2.7 1037 264 D T H X> S+ 0 0 2 -3,-1.4 4,-2.9 2,-0.2 3,-0.7 0.977 104.7 58.4 -61.1 -61.2 29.9 19.1 1.7 1038 265 D T H 3< S+ 0 0 27 -4,-1.0 4,-0.3 1,-0.3 -1,-0.2 0.808 117.8 28.9 -42.8 -51.4 27.9 17.8 -1.3 1039 266 D L H 34 S+ 0 0 53 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.629 120.8 52.0 -95.1 -6.6 25.7 15.4 0.7 1040 267 D L H << S+ 0 0 1 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.2 0.788 98.3 66.0 -91.4 -28.9 25.7 17.3 4.1 1041 268 D I S < S+ 0 0 14 -4,-2.9 -2,-0.1 -5,-0.1 -1,-0.1 0.666 76.9 100.6 -67.5 -22.1 24.6 20.7 2.6 1042 269 D R - 0 0 125 -4,-0.3 -263,-0.1 -5,-0.2 -3,-0.0 -0.380 63.5-150.2 -63.1 142.7 21.1 19.4 1.6 1043 270 D N > + 0 0 38 1,-0.1 4,-1.8 2,-0.1 3,-0.3 -0.761 24.1 170.9-123.5 88.4 18.4 20.5 4.1 1044 271 D P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.856 82.6 58.3 -63.2 -33.4 15.4 18.1 4.3 1045 272 D S H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.885 105.3 49.8 -61.5 -40.1 14.0 20.0 7.4 1046 273 D R H > S+ 0 0 19 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.921 108.6 53.3 -63.8 -44.1 13.8 23.2 5.2 1047 274 D K H X S+ 0 0 92 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.892 110.1 47.2 -57.4 -42.4 12.0 21.2 2.5 1048 275 D I H < S+ 0 0 13 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.933 111.5 50.6 -62.9 -51.3 9.4 20.0 5.1 1049 276 D L H < S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 112.7 47.1 -56.5 -36.9 8.9 23.6 6.4 1050 277 D E H < S+ 0 0 14 -4,-2.1 2,-1.6 -5,-0.1 -1,-0.2 0.742 84.3 99.4 -76.7 -30.3 8.4 24.8 2.8 1051 278 D F < 0 0 173 -4,-1.5 -1,-0.1 -3,-0.4 -4,-0.0 -0.479 360.0 360.0 -65.9 85.7 5.9 22.1 1.9 1052 279 D L 0 0 168 -2,-1.6 -1,-0.2 0, 0.0 -2,-0.1 0.395 360.0 360.0-145.5 360.0 2.7 24.2 2.4