==== 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 16-MAY-08 3D5Q . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,J.LIU,A.SUDOM,N.P.C.WALKER . 1038 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 795 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 13.3 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 . 71 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 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 3 1 2 2 0 2 3 4 5 4 2 4 1 3 0 0 0 1 1 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 12 2 2 3 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 21 A Q 0 0 210 0, 0.0 228,-0.0 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 82.0 -10.4 16.2 31.6 2 22 A P - 0 0 68 0, 0.0 226,-0.2 0, 0.0 227,-0.1 0.156 360.0 -64.5 -58.3-170.0 -6.6 16.4 31.8 3 23 A L - 0 0 74 224,-1.1 3,-0.1 2,-0.1 224,-0.1 0.111 22.2-137.2 -80.3-175.2 -4.8 18.2 34.7 4 24 A N S S+ 0 0 161 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.034 83.8 25.7-132.4 30.0 -4.4 21.7 36.1 5 25 A E S S- 0 0 115 222,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.869 88.4 -79.8 175.5 158.3 -0.7 21.9 36.8 6 26 A E - 0 0 170 -2,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.172 50.9 -81.6 -84.2 165.5 2.6 20.3 35.5 7 27 A F - 0 0 34 2,-0.0 -1,-0.1 3,-0.0 216,-0.1 -0.362 35.3-173.9 -76.4 126.7 4.3 17.0 36.3 8 28 A R > - 0 0 176 -2,-0.2 3,-2.7 1,-0.1 4,-0.2 -0.959 31.5-128.8-113.9 130.8 6.5 16.3 39.3 9 29 A P G > S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.709 104.3 71.1 -45.3 -26.0 8.4 13.0 39.7 10 30 A E G > S+ 0 0 139 1,-0.2 3,-0.8 2,-0.2 -3,-0.0 0.570 73.1 83.0 -70.3 -12.5 6.8 12.6 43.2 11 31 A M G < S+ 0 0 52 -3,-2.7 -1,-0.2 1,-0.2 26,-0.0 0.587 94.0 47.7 -69.6 -7.8 3.3 11.9 41.8 12 32 A L G X S+ 0 0 2 -3,-1.1 3,-3.0 -4,-0.2 28,-0.3 0.551 78.2 124.4-108.8 -14.1 4.4 8.3 41.4 13 33 A Q T < S- 0 0 116 -3,-0.8 26,-0.3 1,-0.3 25,-0.2 -0.282 92.5 -3.6 -51.9 115.4 5.9 7.8 44.9 14 34 A G T 3 S+ 0 0 34 24,-2.1 2,-0.4 1,-0.3 -1,-0.3 0.683 97.4 144.3 71.8 16.4 4.1 4.9 46.4 15 35 A K < - 0 0 87 -3,-3.0 25,-1.6 79,-0.0 2,-0.4 -0.754 50.0-129.1 -84.9 133.0 1.8 4.5 43.4 16 36 A K E +a 40 0A 51 -2,-0.4 78,-2.8 23,-0.2 79,-1.3 -0.700 38.2 173.4 -87.4 129.8 1.0 0.9 42.6 17 37 A V E -ab 41 95A 0 23,-1.1 25,-2.3 -2,-0.4 2,-0.4 -0.993 28.7-151.5-148.4 144.7 1.6 0.1 39.0 18 38 A I E -ab 42 96A 0 77,-1.6 79,-1.5 -2,-0.4 2,-0.4 -0.927 12.0-170.9-115.8 136.8 1.6 -2.6 36.4 19 39 A V E -ab 43 97A 0 23,-2.1 25,-1.2 -2,-0.4 3,-0.5 -1.000 11.0-151.2-127.6 130.4 3.9 -2.6 33.3 20 40 A T S S+ 0 0 0 77,-1.5 25,-0.1 -2,-0.4 23,-0.0 -0.740 78.9 14.6-107.4 154.4 3.4 -5.2 30.6 21 41 A G S > S+ 0 0 18 23,-0.5 3,-1.0 -2,-0.3 6,-0.4 0.869 82.3 147.0 50.3 38.0 6.2 -6.4 28.3 22 42 A A T 3 + 0 0 0 22,-1.7 23,-0.1 -3,-0.5 -1,-0.1 0.340 40.7 92.4 -90.6 10.3 8.4 -4.8 30.8 23 43 A S T 3 S- 0 0 12 21,-0.5 -1,-0.3 31,-0.0 2,-0.3 0.616 100.1 -6.9 -79.3 -13.5 11.1 -7.4 30.3 24 44 A K S X> S+ 0 0 108 -3,-1.0 4,-3.3 30,-0.0 3,-0.6 -0.901 103.3 16.3-155.8-166.0 12.7 -5.1 27.6 25 45 A G H 3> S- 0 0 18 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.185 120.7 -7.4 37.2-137.4 12.6 -2.0 25.4 26 46 A I H 3> S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.865 137.7 56.6 -59.5 -32.0 10.3 0.8 26.3 27 47 A G H <> S+ 0 0 0 -3,-0.6 4,-2.1 -6,-0.4 -5,-0.2 0.932 104.9 48.5 -65.9 -48.4 8.7 -1.4 28.9 28 48 A R H X S+ 0 0 83 -4,-3.3 4,-2.2 -7,-0.3 -1,-0.2 0.899 113.2 50.0 -57.3 -41.5 11.9 -2.1 30.8 29 49 A E H X S+ 0 0 28 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.946 105.7 53.7 -66.0 -48.6 12.6 1.6 30.8 30 50 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.931 109.1 52.0 -49.3 -45.3 9.2 2.6 32.1 31 51 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.942 110.2 46.5 -57.0 -51.7 9.9 0.2 35.0 32 52 A Y H X S+ 0 0 35 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.967 109.6 52.5 -58.4 -55.1 13.3 1.8 35.8 33 53 A H H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.4 50.2 -44.7 -40.0 12.0 5.4 35.7 34 54 A L H ><>S+ 0 0 0 -4,-1.9 3,-2.3 -5,-0.3 5,-1.8 0.952 108.7 45.2 -70.2 -56.5 9.3 4.2 38.1 35 55 A A H ><5S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.927 109.4 60.7 -47.7 -46.0 11.4 2.5 40.7 36 56 A K T 3<5S+ 0 0 149 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.516 107.1 44.4 -63.2 -6.5 13.6 5.6 40.4 37 57 A M T < 5S- 0 0 24 -3,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.284 121.7-109.8-115.8 1.6 10.5 7.6 41.5 38 58 A G T < 5 + 0 0 13 -3,-2.1 -24,-2.1 -4,-0.5 -3,-0.2 0.738 62.8 152.9 81.2 27.1 9.7 5.1 44.3 39 59 A A < - 0 0 0 -5,-1.8 26,-0.8 -26,-0.3 25,-0.6 -0.472 50.4-109.4 -79.1 154.5 6.5 3.6 42.9 40 60 A H E -a 16 0A 56 -25,-1.6 -23,-1.1 -28,-0.3 2,-0.4 -0.651 46.5-160.1 -76.4 147.2 5.4 0.0 43.8 41 61 A V E -a 17 0A 3 24,-0.4 26,-2.1 -2,-0.3 2,-0.4 -0.972 31.4-179.7-147.4 128.0 5.8 -2.2 40.7 42 62 A V E -ac 18 67A 0 -25,-2.3 -23,-2.1 -2,-0.4 2,-0.3 -0.993 20.3-173.8-119.1 126.7 4.7 -5.4 39.1 43 63 A V E -ac 19 68A 1 24,-1.9 26,-1.3 -2,-0.4 2,-0.3 -0.820 2.0-171.2-118.8 155.4 6.2 -6.2 35.7 44 64 A T E + c 0 69A 1 -25,-1.2 -22,-1.7 -2,-0.3 -21,-0.5 -0.967 21.7 126.9-149.3 161.5 5.4 -9.0 33.3 45 65 A A E - c 0 70A 15 24,-0.7 26,-2.8 -2,-0.3 24,-0.1 -0.924 64.1 -86.2 171.8-177.0 6.4 -10.8 30.1 46 66 A R S S+ 0 0 150 -2,-0.3 2,-0.7 24,-0.2 26,-0.1 0.876 99.6 80.6 -82.8 -36.7 7.2 -14.4 29.2 47 67 A S > - 0 0 48 1,-0.2 4,-1.8 24,-0.1 5,-0.1 -0.596 51.3-174.3 -82.2 109.7 10.9 -14.6 30.1 48 68 A K H > S+ 0 0 107 -2,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.901 82.6 58.4 -66.5 -41.3 11.5 -15.2 33.9 49 69 A E H >> S+ 0 0 96 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.979 111.3 39.1 -48.3 -66.5 15.3 -14.8 33.5 50 70 A T H 3> S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.852 112.3 57.3 -59.4 -35.8 15.2 -11.3 32.1 51 71 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.881 100.4 59.4 -62.3 -35.3 12.3 -10.3 34.4 52 72 A Q H X S+ 0 0 60 -4,-2.7 4,-1.9 1,-0.2 3,-1.3 0.971 113.5 48.3 -54.4 -58.9 16.6 -6.6 41.0 57 77 A H H 3< S+ 0 0 74 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.807 108.1 59.6 -51.3 -30.9 17.9 -3.5 39.1 58 78 A C H ><>S+ 0 0 1 -4,-1.4 5,-1.0 -5,-0.3 3,-0.9 0.844 102.0 50.0 -69.7 -37.1 14.6 -1.9 40.1 59 79 A L H X<5S+ 0 0 97 -4,-1.5 3,-1.7 -3,-1.3 4,-0.3 0.924 102.1 64.3 -64.8 -42.8 15.2 -2.4 43.7 60 80 A E T 3<5S+ 0 0 157 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.606 102.8 49.9 -51.5 -15.9 18.7 -0.7 43.2 61 81 A L T < 5S- 0 0 57 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.424 127.8 -81.3-116.9 0.8 17.0 2.5 42.2 62 82 A G T < 5 + 0 0 45 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.2 0.725 60.1 172.1 110.2 29.7 14.5 3.1 45.0 63 83 A A < - 0 0 14 -5,-1.0 -1,-0.2 -4,-0.3 -23,-0.2 -0.566 32.6-145.5 -70.3 121.4 11.5 1.0 44.2 64 84 A A S S- 0 0 53 -25,-0.6 2,-0.3 -2,-0.4 -24,-0.2 0.960 87.9 -13.9 -46.8 -52.4 8.9 1.0 47.0 65 85 A S - 0 0 20 -26,-0.8 -24,-0.4 -3,-0.1 2,-0.2 -0.947 65.0-167.2-143.3 170.0 8.4 -2.6 45.8 66 86 A A + 0 0 6 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.778 20.2 143.8-163.2 114.0 9.3 -4.7 42.8 67 87 A H E -c 42 0A 85 -26,-2.1 -24,-1.9 -2,-0.2 2,-0.3 -0.954 24.1-147.7-145.6 165.6 8.1 -8.2 41.7 68 88 A Y E -c 43 0A 74 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.899 9.5-160.4-136.2 164.5 7.2 -10.1 38.6 69 89 A I E -c 44 0A 19 -26,-1.3 -24,-0.7 -2,-0.3 2,-0.4 -0.948 23.1-143.4-144.9 117.0 4.9 -12.8 37.2 70 90 A A E +c 45 0A 39 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.720 40.8 113.4 -91.5 131.5 6.0 -14.5 34.0 71 91 A G - 0 0 16 -26,-2.8 2,-0.5 -2,-0.4 -24,-0.1 -0.979 58.5 -89.8-176.0 173.7 3.5 -15.6 31.4 72 92 A T > - 0 0 49 -2,-0.3 3,-1.5 -26,-0.1 7,-0.3 -0.844 16.4-149.3-101.6 129.8 2.1 -15.2 27.9 73 93 A M T 3 S+ 0 0 12 -2,-0.5 53,-0.2 1,-0.3 -1,-0.1 0.296 89.2 88.6 -76.4 9.6 -0.6 -12.8 27.2 74 94 A E T 3 S+ 0 0 93 1,-0.1 2,-0.6 52,-0.0 -1,-0.3 0.574 82.3 71.0 -70.8 -10.1 -1.6 -15.2 24.5 75 95 A D <> - 0 0 71 -3,-1.5 4,-2.8 1,-0.1 -1,-0.1 -0.921 64.7-168.2-118.6 108.1 -3.6 -16.6 27.4 76 96 A M H > S+ 0 0 31 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.787 90.2 61.0 -68.7 -24.6 -6.6 -14.6 28.6 77 97 A T H > S+ 0 0 77 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.964 109.0 42.9 -66.6 -47.4 -6.8 -16.8 31.7 78 98 A F H > S+ 0 0 34 2,-0.2 4,-3.9 -6,-0.2 5,-0.3 0.990 111.7 53.7 -53.1 -61.6 -3.3 -15.7 32.6 79 99 A A H X S+ 0 0 0 -4,-2.8 4,-1.0 -7,-0.3 -2,-0.2 0.905 114.4 42.4 -42.3 -56.2 -4.1 -12.1 31.7 80 100 A E H >X S+ 0 0 110 -4,-2.8 4,-1.4 1,-0.2 3,-1.0 0.951 118.8 42.1 -53.3 -59.3 -7.1 -12.2 34.0 81 101 A Q H 3X S+ 0 0 127 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.854 106.9 64.4 -63.0 -33.9 -5.4 -14.0 36.9 82 102 A F H 3X S+ 0 0 1 -4,-3.9 4,-1.9 -5,-0.3 -1,-0.2 0.774 102.1 47.6 -56.2 -34.2 -2.2 -11.9 36.6 83 103 A V H S+ 0 0 4 -4,-3.5 4,-1.9 2,-0.2 5,-1.7 0.899 111.6 47.5 -59.6 -41.8 -3.4 -6.3 42.7 88 108 A K H <5S+ 0 0 188 -4,-3.2 3,-0.2 -5,-0.2 -2,-0.2 0.972 107.8 54.2 -63.3 -54.5 -3.2 -8.6 45.8 89 109 A L H <5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 120.0 32.6 -49.1 -36.4 0.6 -8.3 46.1 90 110 A M H <5S- 0 0 22 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.692 105.4-120.2 -99.3 -22.1 0.5 -4.5 46.2 91 111 A G T <5S- 0 0 58 -4,-1.9 2,-0.3 -3,-0.2 -3,-0.2 0.745 81.2 -10.2 85.7 27.7 -2.9 -3.9 47.9 92 112 A G < - 0 0 15 -5,-1.7 2,-0.3 -6,-0.2 -2,-0.2 -0.930 69.9-106.2 145.0-170.0 -4.3 -2.0 45.0 93 113 A L + 0 0 2 44,-0.4 48,-0.3 -2,-0.3 50,-0.3 -0.919 20.8 173.9-163.6 130.6 -3.5 -0.4 41.6 94 114 A D S S+ 0 0 30 -78,-2.8 50,-1.9 1,-0.4 2,-0.3 0.580 76.2 20.7-111.7 -22.6 -3.2 3.3 40.5 95 115 A M E -bd 17 144A 12 -79,-1.3 -77,-1.6 48,-0.3 2,-0.4 -0.975 58.0-161.2-156.7 132.9 -2.0 2.9 37.0 96 116 A L E -bd 18 145A 0 48,-2.8 50,-2.6 -2,-0.3 2,-0.5 -0.967 8.3-164.0-118.1 133.2 -2.0 0.1 34.4 97 117 A I E -bd 19 146A 0 -79,-1.5 -77,-1.5 -2,-0.4 2,-0.6 -0.951 1.0-165.0-126.0 111.6 0.4 0.2 31.5 98 118 A L E + d 0 147A 0 48,-2.8 50,-1.9 -2,-0.5 -77,-0.0 -0.877 34.6 135.1 -99.8 120.1 -0.4 -2.0 28.6 99 119 A N + 0 0 24 -2,-0.6 -1,-0.2 48,-0.2 -78,-0.1 0.520 27.1 110.5-146.3 -27.7 2.7 -2.2 26.4 100 120 A H + 0 0 16 22,-0.1 2,-0.3 -73,-0.0 48,-0.1 -0.143 37.8 178.5 -53.8 154.9 3.4 -5.8 25.4 101 121 A I - 0 0 73 -80,-0.0 2,-0.1 23,-0.0 -28,-0.1 -0.936 32.3 -97.9-146.1 171.1 3.0 -6.9 21.8 102 122 A T - 0 0 18 -2,-0.3 2,-0.1 1,-0.1 17,-0.0 -0.425 52.4 -85.2 -86.7 162.7 3.5 -10.2 19.9 103 123 A N + 0 0 106 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.415 57.5 175.8 -67.5 142.3 6.7 -10.8 18.0 104 124 A T - 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0 0 71 -5,-1.9 -37,-0.2 -6,-0.2 -1,-0.2 -0.607 40.7-134.2 -83.1 139.1 -4.0 13.2 29.0 230 254 A E S S+ 0 0 71 -2,-0.3 -38,-1.6 1,-0.2 2,-0.3 0.874 89.4 14.4 -57.3 -38.7 -6.2 11.7 26.3 231 255 A E E -f 192 0A 40 -40,-0.2 2,-0.4 -7,-0.1 -38,-0.2 -0.999 57.3-164.6-141.3 142.3 -3.2 11.3 24.0 232 256 A V E -f 193 0A 10 -40,-2.3 -38,-2.9 -2,-0.3 2,-0.4 -0.989 12.5-166.8-118.6 132.5 0.6 11.4 24.1 233 257 A Y E +f 194 0A 39 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.942 10.6 172.2-115.2 142.4 2.6 11.7 20.9 234 258 A Y E +f 195 0A 22 -40,-2.2 -38,-2.4 -2,-0.4 2,-0.3 -0.921 11.8 136.6-156.4 128.7 6.3 11.1 20.8 235 259 A D - 0 0 20 -2,-0.3 2,-1.7 -40,-0.2 6,-0.1 -0.966 60.5-104.1-166.7 151.2 8.6 10.9 17.8 236 260 A S S S+ 0 0 31 -39,-0.3 2,-0.1 -2,-0.3 3,-0.1 -0.356 102.5 70.1 -84.3 55.5 12.0 12.2 16.9 237 261 A S >> - 0 0 21 -2,-1.7 4,-2.1 1,-0.1 3,-0.8 -0.402 60.9-161.6-172.4 90.0 10.5 14.9 14.7 238 262 A L H 3> S+ 0 0 98 1,-0.3 4,-0.7 2,-0.2 5,-0.1 0.828 96.4 62.9 -37.6 -39.3 8.6 17.9 16.0 239 263 A W H >> S+ 0 0 178 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.952 105.5 41.2 -55.1 -57.8 7.3 18.1 12.5 240 264 A T H X> S+ 0 0 4 -3,-0.8 3,-1.1 1,-0.3 4,-0.7 0.903 107.7 61.1 -56.1 -46.8 5.6 14.7 12.6 241 265 A T H 3< S+ 0 0 21 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.656 105.6 50.3 -59.9 -13.8 4.3 15.3 16.1 242 266 A L H << S+ 0 0 55 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.709 108.2 50.4 -93.7 -25.5 2.4 18.3 14.7 243 267 A L H << S+ 0 0 17 -3,-1.1 279,-0.2 -4,-0.9 -2,-0.2 0.417 95.7 77.8 -87.9 -0.1 0.9 16.4 11.9 244 268 A I S < S+ 0 0 15 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.1 0.886 73.3 83.9 -82.6 -40.8 -0.3 13.7 14.3 245 269 A R - 0 0 107 -4,-0.3 273,-0.1 -3,-0.2 -3,-0.0 -0.231 65.3-148.1 -64.4 149.8 -3.3 15.4 15.8 246 270 A N > + 0 0 31 1,-0.1 4,-1.5 272,-0.1 5,-0.2 -0.808 17.5 177.0-126.3 94.0 -6.7 15.3 14.0 247 271 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.878 81.4 59.3 -58.4 -45.1 -8.9 18.4 14.6 248 272 A S H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.962 105.7 50.3 -47.4 -57.1 -11.6 17.2 12.3 249 273 A R H > S+ 0 0 28 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.824 109.2 48.2 -52.3 -45.8 -12.1 14.1 14.5 250 274 A K H X S+ 0 0 86 -4,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.886 111.8 55.5 -61.3 -38.0 -12.3 16.1 17.7 251 275 A I H >X S+ 0 0 32 -4,-2.4 4,-1.5 -3,-0.2 3,-0.5 0.981 113.0 35.2 -60.0 -61.0 -14.8 18.3 16.0 252 276 A L H 3X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.715 112.9 61.3 -74.2 -16.6 -17.3 15.7 14.8 253 277 A E H 3< S+ 0 0 16 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.879 112.9 37.0 -69.1 -37.5 -16.8 13.6 18.0 254 278 A F H << S+ 0 0 109 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.586 114.3 56.2 -98.0 -9.2 -18.0 16.6 20.0 255 279 A L H >< S+ 0 0 29 -4,-1.5 3,-0.8 -5,-0.1 -2,-0.2 0.955 113.8 38.6 -70.0 -67.9 -20.6 17.5 17.4 256 280 A Y G >< S+ 0 0 44 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.501 91.5 100.5 -59.8 -3.0 -22.2 14.1 17.5 257 281 A S G 3 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.433 82.6 47.6 -63.9 2.8 -21.5 14.3 21.3 258 282 A T G < S+ 0 0 114 -3,-0.8 -1,-0.2 1,-0.1 2,-0.2 0.508 79.0 94.3-121.2 -11.8 -25.2 15.3 21.7 259 283 A S S < S+ 0 0 16 -3,-1.4 219,-1.2 -4,-0.1 2,-0.3 0.140 86.1 53.3 -74.8 23.0 -27.0 12.7 19.7 260 284 A Y B -H 477 0C 36 -2,-0.2 2,-0.4 217,-0.2 217,-0.2 -0.994 54.9-158.7-160.2 146.7 -27.5 10.5 22.8 261 285 A N - 0 0 83 215,-0.9 2,-0.6 -2,-0.3 3,-0.4 -0.996 10.6-159.2-129.1 129.2 -28.7 10.2 26.4 262 286 A M + 0 0 26 -2,-0.4 3,-0.3 1,-0.2 214,-0.1 -0.405 52.2 117.3-106.6 56.4 -27.4 7.4 28.6 263 287 A D + 0 0 136 -2,-0.6 -1,-0.2 1,-0.2 0, 0.0 0.734 53.1 79.9-100.3 -24.3 -30.1 7.2 31.3 264 288 A R 0 0 192 -3,-0.4 -1,-0.2 212,-0.0 -2,-0.1 0.350 360.0 360.0 -59.4 11.0 -31.4 3.6 30.7 265 289 A F 0 0 105 -3,-0.3 -3,-0.0 108,-0.0 108,-0.0 -0.955 360.0 360.0-126.1 360.0 -28.2 2.9 32.7 266 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 267 21 B Q 0 0 189 0, 0.0 232,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 101.5 -6.3 6.1 -8.2 268 22 B P - 0 0 47 0, 0.0 2,-0.9 0, 0.0 230,-0.3 -0.319 360.0 -83.9 -64.0 150.2 -10.0 6.1 -9.1 269 23 B L - 0 0 75 228,-2.1 2,-0.3 227,-0.1 230,-0.1 -0.382 44.5-128.0 -63.8 98.3 -10.9 5.8 -12.8 270 24 B N S S+ 0 0 133 -2,-0.9 2,-0.2 -3,-0.1 -1,-0.1 -0.284 81.3 57.2 -52.7 109.1 -10.7 9.3 -14.2 271 25 B E S S- 0 0 88 -2,-0.3 2,-0.2 520,-0.0 520,-0.0 -0.689 92.6 -70.9 138.0 168.2 -14.0 9.6 -15.9 272 26 B E - 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