==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-OCT-06 2ILT . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.L.LONGENECKER,B.SORENSEN,R.JUDGE,W.QIN,J.T.LINK . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.4 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 . 20 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 1 1 0 0 0 1 1 1 2 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 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 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 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 11 A Q 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.0 22.3 95.5 33.5 2 12 A H - 0 0 117 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.107 360.0-146.1 -67.7 160.9 23.7 92.4 31.8 3 13 A Q - 0 0 143 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.693 17.7-121.1-114.6 174.5 26.1 89.7 33.2 4 14 A H > - 0 0 117 -2,-0.2 3,-1.2 1,-0.1 -2,-0.0 -0.882 25.6-174.9-118.2 97.1 28.9 87.6 31.7 5 15 A Q T 3 S+ 0 0 168 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.617 78.0 57.9 -74.0 -15.4 27.8 84.1 32.3 6 16 A H T 3 S+ 0 0 183 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.636 81.1 104.4 -86.4 -15.4 31.0 82.5 30.9 7 17 A Q S < S- 0 0 132 -3,-1.2 -3,-0.1 1,-0.1 0, 0.0 -0.504 74.2-118.3 -75.1 130.5 33.2 84.3 33.4 8 18 A H - 0 0 146 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.202 25.9-168.8 -69.0 157.0 34.4 82.0 36.3 9 19 A Q - 0 0 179 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.939 17.6-124.9-136.1 158.3 33.8 82.4 40.0 10 20 A H - 0 0 115 -2,-0.3 2,-0.3 1,-0.0 0, 0.0 -0.680 17.7-119.3-102.4 158.9 35.4 80.6 43.0 11 21 A Q + 0 0 197 -2,-0.2 -1,-0.0 2,-0.0 0, 0.0 -0.708 44.7 151.6 -91.6 149.6 33.9 78.6 45.8 12 22 A Q - 0 0 94 -2,-0.3 3,-0.0 1,-0.0 0, 0.0 -0.920 62.7-127.6-149.8 166.5 34.4 79.6 49.5 13 23 A P S S- 0 0 130 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.493 95.1 -40.2 -96.1 47.6 33.6 80.0 53.1 14 24 A N S S+ 0 0 132 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.984 82.6 35.1 155.0-122.8 34.3 83.9 52.5 15 25 A E + 0 0 160 -2,-0.3 2,-0.2 226,-0.0 226,-0.0 -0.516 26.4 148.7-109.5 141.6 36.1 87.0 51.0 16 26 A E - 0 0 93 -2,-0.2 2,-0.4 0, 0.0 -1,-0.0 -0.658 49.3 -78.5-130.4-177.9 38.0 88.5 47.9 17 27 A F + 0 0 42 -2,-0.2 220,-0.1 3,-0.0 221,-0.0 -0.776 41.0 176.3 -93.2 139.4 38.5 92.0 46.3 18 28 A R > - 0 0 103 -2,-0.4 3,-1.9 219,-0.1 4,-0.1 -0.995 36.0-128.4-136.7 139.0 35.8 93.6 44.1 19 29 A P G >> S+ 0 0 74 0, 0.0 3,-2.5 0, 0.0 4,-0.5 0.775 103.3 74.7 -54.2 -30.7 36.0 97.1 42.5 20 30 A E G 34 S+ 0 0 127 1,-0.3 3,-0.3 2,-0.2 -3,-0.0 0.686 78.5 75.5 -56.3 -21.3 32.5 97.9 43.9 21 31 A M G <4 S+ 0 0 54 -3,-1.9 -1,-0.3 1,-0.2 26,-0.0 0.637 104.7 36.5 -65.2 -16.1 34.3 98.2 47.3 22 32 A L T X4 S+ 0 0 2 -3,-2.5 3,-2.0 25,-0.1 2,-0.4 0.450 86.6 120.4-112.4 -9.4 35.6 101.6 46.0 23 33 A Q T 3< S+ 0 0 137 -4,-0.5 26,-0.3 -3,-0.3 25,-0.2 -0.452 92.5 0.6 -62.0 116.3 32.5 102.7 44.0 24 34 A G T 3 S+ 0 0 35 24,-3.0 -1,-0.3 -2,-0.4 25,-0.2 0.482 100.4 141.4 82.0 2.9 31.2 106.0 45.5 25 35 A K < - 0 0 84 -3,-2.0 25,-3.6 19,-0.1 2,-0.7 -0.461 52.5-127.8 -78.9 152.2 34.1 106.0 48.0 26 36 A K E +a 50 0A 55 23,-0.2 78,-3.1 -2,-0.1 79,-2.0 -0.894 35.7 178.8-110.0 111.2 35.8 109.2 48.8 27 37 A V E -ab 51 105A 0 23,-3.2 25,-2.6 -2,-0.7 2,-0.5 -0.930 23.9-157.5-128.1 130.5 39.6 109.0 48.4 28 38 A I E -ab 52 106A 0 77,-2.2 79,-2.6 -2,-0.4 2,-0.4 -0.906 12.4-170.4 -99.2 132.1 42.6 111.3 48.8 29 39 A V E -ab 53 107A 0 23,-2.1 25,-1.6 -2,-0.5 3,-0.4 -0.997 6.5-159.7-120.7 124.2 45.7 110.3 46.9 30 40 A T S S+ 0 0 0 77,-2.1 25,-0.2 -2,-0.4 23,-0.0 -0.671 75.0 26.3 -99.4 159.2 48.9 112.2 47.7 31 41 A G S > S+ 0 0 17 23,-0.3 3,-0.5 -2,-0.2 6,-0.5 0.879 81.5 146.0 56.5 43.1 51.9 112.4 45.3 32 42 A A T 3 + 0 0 0 22,-2.3 23,-0.1 -3,-0.4 -1,-0.1 0.275 37.0 87.6-101.5 9.2 49.5 111.8 42.5 33 43 A S T 3 S- 0 0 19 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.705 102.6 -0.1 -78.8 -20.8 51.0 113.8 39.7 34 44 A K S X> S+ 0 0 111 -3,-0.5 4,-1.1 30,-0.0 3,-0.7 -0.962 105.2 11.0-157.8 170.4 53.2 110.9 38.6 35 45 A G H 3> S- 0 0 12 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.196 117.8 -9.6 61.6-139.3 54.2 107.3 39.2 36 46 A I H 3> S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.864 134.6 57.0 -63.8 -40.0 52.4 105.0 41.6 37 47 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 -6,-0.5 -5,-0.3 0.927 109.4 45.0 -56.0 -50.0 50.3 107.9 43.0 38 48 A R H X S+ 0 0 78 -4,-1.1 4,-2.3 -7,-0.4 -2,-0.2 0.906 111.7 52.2 -62.0 -46.2 49.0 108.8 39.5 39 49 A E H X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.906 109.1 50.9 -56.0 -43.5 48.3 105.1 38.7 40 50 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.880 107.2 53.2 -62.7 -41.3 46.3 104.7 41.9 41 51 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.944 111.2 47.7 -55.0 -49.4 44.2 107.8 41.0 42 52 A Y H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.938 110.1 49.9 -59.8 -51.1 43.5 106.2 37.7 43 53 A H H X S+ 0 0 23 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.913 112.4 48.6 -52.9 -44.7 42.5 102.8 39.2 44 54 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 -1,-0.2 0.852 109.1 52.6 -66.9 -37.6 40.2 104.6 41.6 45 55 A A H ><5S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.959 107.2 52.1 -57.6 -54.6 38.6 106.6 38.8 46 56 A K H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.732 107.5 53.4 -52.3 -30.4 37.9 103.4 36.9 47 57 A M T 3<5S- 0 0 20 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.398 120.5-110.7 -87.3 0.3 36.2 102.0 40.0 48 58 A G T < 5 + 0 0 15 -3,-2.5 -24,-3.0 1,-0.2 -3,-0.2 0.881 63.8 153.0 72.6 40.0 33.9 105.1 40.2 49 59 A A < - 0 0 0 -5,-2.2 25,-1.8 -26,-0.3 26,-0.9 -0.551 51.3-113.7 -87.4 160.0 35.4 106.6 43.3 50 60 A H E -ac 26 75A 46 -25,-3.6 -23,-3.2 24,-0.3 2,-0.4 -0.882 43.0-165.1 -85.6 126.9 35.4 110.3 44.2 51 61 A V E -ac 27 76A 0 24,-2.4 26,-2.2 -2,-0.5 2,-0.5 -0.948 24.4-172.2-119.5 137.0 39.1 111.3 44.2 52 62 A V E -ac 28 77A 0 -25,-2.6 -23,-2.1 -2,-0.4 2,-0.3 -0.984 20.8-168.3-118.8 118.2 41.0 114.3 45.5 53 63 A V E -ac 29 78A 0 24,-2.7 26,-1.7 -2,-0.5 2,-0.3 -0.751 4.2-172.3-105.4 149.3 44.6 114.3 44.2 54 64 A T E + c 0 79A 0 -25,-1.6 -22,-2.3 -2,-0.3 -21,-0.3 -0.959 21.2 123.3-141.7 161.8 47.5 116.5 45.4 55 65 A A E - c 0 80A 14 24,-0.6 26,-2.4 -2,-0.3 24,-0.0 -0.893 64.8 -87.3 169.5 179.4 51.1 117.4 44.6 56 66 A R S S+ 0 0 154 -2,-0.2 2,-0.9 24,-0.2 26,-0.1 0.905 102.8 78.1 -76.1 -41.2 53.1 120.5 43.9 57 67 A S > - 0 0 54 1,-0.2 4,-1.7 24,-0.1 5,-0.1 -0.553 53.7-178.8 -80.0 103.5 52.6 120.6 40.1 58 68 A K H > S+ 0 0 108 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.869 79.3 58.3 -68.7 -33.2 49.1 122.0 39.4 59 69 A E H > S+ 0 0 123 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.889 110.0 42.1 -65.9 -40.8 49.4 121.7 35.6 60 70 A T H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 111.8 55.8 -73.7 -34.0 50.1 117.9 35.8 61 71 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.862 101.7 57.3 -65.6 -36.9 47.4 117.5 38.4 62 72 A Q H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 108.1 48.2 -54.7 -44.5 44.8 119.1 36.0 63 73 A K H X S+ 0 0 143 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.879 111.6 48.5 -63.1 -44.1 45.7 116.4 33.5 64 74 A V H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.952 112.7 48.5 -61.8 -49.7 45.3 113.6 36.1 65 75 A V H X S+ 0 0 18 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.879 111.8 50.2 -56.7 -44.0 42.0 115.1 37.2 66 76 A S H X S+ 0 0 56 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.934 112.9 44.7 -62.3 -48.9 40.9 115.3 33.5 67 77 A H H X S+ 0 0 64 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.854 108.8 58.6 -65.2 -34.8 41.9 111.7 32.8 68 78 A C H X>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 4,-0.5 0.945 105.8 48.2 -56.4 -50.8 40.2 110.5 36.1 69 79 A L H ><5S+ 0 0 92 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.843 110.4 52.9 -56.9 -37.1 36.9 112.0 34.9 70 80 A E H 3<5S+ 0 0 134 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 104.4 55.2 -66.2 -38.4 37.3 110.2 31.5 71 81 A L H 3<5S- 0 0 53 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.522 130.5 -90.1 -77.4 -7.6 37.9 106.8 33.2 72 82 A G T <<5 + 0 0 45 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.650 61.7 170.4 109.4 21.4 34.6 107.1 35.1 73 83 A A < - 0 0 14 -5,-1.9 -23,-0.2 -25,-0.1 -1,-0.2 -0.334 38.2-134.4 -60.7 142.1 35.4 108.8 38.4 74 84 A A S S- 0 0 52 -25,-1.8 2,-0.3 1,-0.3 -24,-0.3 0.870 89.5 -19.0 -63.4 -40.2 32.3 109.9 40.5 75 85 A S E -c 50 0A 22 -26,-0.9 -24,-2.4 2,-0.0 2,-0.3 -0.935 66.1-158.2-157.8 158.6 34.1 113.2 40.9 76 86 A A E +c 51 0A 6 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.954 17.8 161.7-146.4 123.5 37.8 114.3 40.5 77 87 A H E -c 52 0A 76 -26,-2.2 -24,-2.7 -2,-0.3 2,-0.3 -0.939 18.4-153.0-137.1 156.9 39.5 117.4 42.1 78 88 A Y E -c 53 0A 77 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.962 5.0-168.1-128.2 152.0 43.0 118.6 42.8 79 89 A I E -c 54 0A 15 -26,-1.7 -24,-0.6 -2,-0.3 2,-0.2 -0.955 22.4-141.8-135.4 118.7 44.6 120.9 45.4 80 90 A A E +c 55 0A 40 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.515 41.1 108.9 -84.5 145.2 48.2 122.0 44.7 81 91 A G - 0 0 19 -26,-2.4 2,-0.4 -2,-0.2 -26,-0.1 -0.876 58.5 -89.0 166.7 167.0 50.8 122.4 47.4 82 92 A T > - 0 0 41 -2,-0.3 3,-1.1 -26,-0.1 7,-0.3 -0.772 19.4-143.5 -98.2 141.6 54.0 121.2 49.1 83 93 A M T 3 S+ 0 0 13 -2,-0.4 53,-0.2 1,-0.3 -1,-0.1 0.381 96.9 77.9 -86.7 2.1 53.9 118.7 51.9 84 94 A E T 3 S+ 0 0 89 1,-0.1 2,-0.9 51,-0.1 -1,-0.3 0.675 83.3 76.4 -68.1 -24.9 56.9 120.6 53.4 85 95 A D <> - 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0 0 8 42,-2.9 2,-0.2 -2,-0.4 -1,-0.1 -0.058 62.9 -36.7 -80.2-165.5 60.3 96.5 46.2 207 217 A L - 0 0 47 17,-0.2 19,-2.6 2,-0.1 2,-0.4 -0.370 63.7-163.0 -63.7 127.1 61.7 98.4 43.2 208 218 A I B -g 226 0B 10 17,-0.3 2,-1.6 -2,-0.2 5,-0.2 -0.922 25.9-117.6-117.2 140.8 58.9 99.8 41.0 209 219 A D + 0 0 58 17,-2.7 2,-0.1 -2,-0.4 19,-0.1 -0.054 59.9 140.9 -76.6 37.5 59.4 100.9 37.3 210 220 A T > - 0 0 18 -2,-1.6 4,-2.9 1,-0.1 5,-0.3 -0.497 64.5-116.0 -71.2 149.3 58.5 104.6 37.8 211 221 A E H > S+ 0 0 170 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 115.9 53.6 -49.4 -45.4 60.6 107.0 35.8 212 222 A T H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 112.9 41.1 -60.1 -49.3 61.9 108.5 39.1 213 223 A A H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 114.5 52.2 -63.1 -45.0 63.1 105.2 40.5 214 224 A M H X S+ 0 0 64 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.841 112.3 45.8 -63.8 -34.2 64.5 104.0 37.2 215 225 A K H < S+ 0 0 163 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.901 111.1 53.5 -71.2 -41.3 66.5 107.2 36.9 216 226 A A H < S+ 0 0 27 -4,-2.0 -100,-0.5 1,-0.2 -2,-0.2 0.813 115.4 38.6 -64.8 -32.2 67.7 107.0 40.5 217 227 A V H >X S+ 0 0 19 -4,-1.9 4,-2.2 -5,-0.1 3,-2.0 0.517 81.5 129.4 -99.2 -8.1 69.0 103.4 40.1 218 228 A S T 3< S- 0 0 79 -4,-0.7 4,-0.1 -3,-0.5 -3,-0.0 -0.270 87.7 -3.6 -54.0 122.5 70.5 103.7 36.6 219 229 A G T 34 S+ 0 0 92 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.333 128.6 69.7 76.4 -7.0 74.1 102.4 36.6 220 230 A I T <4 S+ 0 0 90 -3,-2.0 2,-0.4 1,-0.4 -2,-0.2 0.792 102.2 26.3-107.9 -46.2 74.1 101.8 40.4 221 231 A V < - 0 0 55 -4,-2.2 2,-0.6 2,-0.1 -1,-0.4 -0.976 60.8-158.2-122.1 139.0 71.7 98.8 41.0 222 232 A H + 0 0 197 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.739 44.5 124.8-116.3 79.7 71.0 96.1 38.4 223 233 A M - 0 0 149 -2,-0.6 2,-0.1 -6,-0.1 -2,-0.1 -0.906 62.3 -89.4-136.6 160.4 67.6 94.6 39.4 224 234 A Q - 0 0 156 -2,-0.3 2,-0.4 1,-0.0 -17,-0.2 -0.382 35.8-150.3 -62.6 142.9 64.1 93.8 38.2 225 235 A A - 0 0 31 25,-0.1 -17,-0.3 -2,-0.1 3,-0.1 -0.986 11.8-130.9-118.5 133.9 61.5 96.5 38.6 226 236 A A B -g 208 0B 3 -19,-2.6 -17,-2.7 -2,-0.4 2,-0.2 -0.454 38.3 -89.1 -79.0 154.7 57.8 95.5 39.1 227 237 A P > - 0 0 55 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.458 25.5-142.6 -74.9 135.9 55.2 97.3 37.0 228 238 A K H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.772 96.1 63.3 -64.3 -29.4 53.8 100.5 38.5 229 239 A E H > S+ 0 0 83 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 110.7 33.9 -63.4 -52.6 50.3 99.8 37.2 230 240 A E H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.828 113.0 60.3 -74.2 -35.1 49.8 96.6 39.2 231 241 A C H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.944 106.7 48.6 -53.8 -46.8 51.7 97.8 42.2 232 242 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.924 110.9 50.1 -60.3 -45.5 49.2 100.7 42.4 233 243 A L H X S+ 0 0 39 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.857 108.3 52.8 -60.3 -37.5 46.3 98.2 42.1 234 244 A E H X S+ 0 0 52 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.857 105.8 54.0 -71.0 -33.4 47.8 96.0 44.9 235 245 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.941 110.3 46.6 -60.9 -49.6 48.0 98.9 47.3 236 246 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.900 111.3 51.5 -61.6 -44.3 44.4 99.8 46.7 237 247 A K H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.917 110.1 49.2 -59.9 -45.5 43.3 96.1 47.2 238 248 A G H <>S+ 0 0 2 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.926 114.2 44.8 -59.4 -48.4 45.2 95.8 50.5 239 249 A G H ><5S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.903 112.2 51.8 -61.8 -43.0 43.7 99.0 51.9 240 250 A A H 3<5S+ 0 0 24 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 110.2 49.2 -63.5 -35.3 40.2 98.1 50.7 241 251 A L T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.360 112.1-123.1 -85.7 3.7 40.5 94.7 52.4 242 252 A R T < 5 + 0 0 109 -3,-1.4 2,-0.2 1,-0.2 -42,-0.2 0.783 50.1 168.0 59.7 32.5 41.7 96.5 55.6 243 253 A Q < - 0 0 90 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.566 37.8-138.2 -80.5 138.5 44.9 94.4 55.7 244 254 A E S S+ 0 0 93 -2,-0.2 -42,-2.9 -43,-0.2 2,-0.3 0.892 84.2 17.5 -64.7 -43.1 47.7 95.6 58.1 245 255 A E E -f 202 0A 40 -44,-0.2 2,-0.4 -42,-0.1 -42,-0.2 -0.975 61.1-162.9-133.4 147.5 50.6 95.1 55.6 246 256 A V E -f 203 0A 12 -44,-2.2 -42,-3.4 -2,-0.3 2,-0.4 -0.981 8.7-161.7-123.8 138.7 50.9 94.6 51.9 247 257 A Y E +f 204 0A 55 -2,-0.4 2,-0.3 -44,-0.2 -42,-0.2 -0.985 13.8 168.6-123.0 134.1 54.0 93.2 50.1 248 258 A Y E +f 205 0A 33 -44,-1.9 -42,-2.9 -2,-0.4 2,-0.3 -0.930 14.7 136.1-148.0 120.5 54.8 93.7 46.5 249 259 A D - 0 0 25 -2,-0.3 6,-0.1 -44,-0.2 -24,-0.1 -0.978 59.3-113.6-159.2 154.1 58.1 92.9 44.8 250 260 A S S S+ 0 0 47 -2,-0.3 2,-0.4 -43,-0.2 -25,-0.1 0.798 102.1 64.4 -60.6 -26.8 59.4 91.2 41.6 251 261 A S > - 0 0 41 1,-0.1 4,-1.4 -27,-0.1 5,-0.1 -0.838 63.6-159.7-110.7 130.9 60.9 88.4 43.8 252 262 A L H > S+ 0 0 129 -2,-0.4 4,-1.6 2,-0.2 -1,-0.1 0.757 94.8 60.4 -82.3 -21.2 58.9 86.0 46.0 253 263 A W H > S+ 0 0 187 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 104.3 51.7 -65.0 -41.4 62.0 85.2 48.1 254 264 A T H > S+ 0 0 37 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.924 108.5 48.5 -61.1 -46.3 62.1 88.9 49.1 255 265 A T H < S+ 0 0 26 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.819 111.5 52.5 -68.3 -30.1 58.4 89.0 50.1 256 266 A L H >< S+ 0 0 107 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.894 110.5 47.4 -61.2 -44.9 59.0 85.8 52.1 257 267 A L H 3< S+ 0 0 144 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.525 100.9 63.0 -85.2 -7.9 62.0 87.4 54.0 258 268 A I T 3< S+ 0 0 12 -4,-1.0 -1,-0.2 -3,-0.2 2,-0.2 0.537 81.0 96.6 -92.4 -8.6 60.4 90.8 54.9 259 269 A R < - 0 0 137 -3,-0.7 -95,-0.0 -4,-0.3 -3,-0.0 -0.546 62.4-156.4 -72.8 146.1 57.8 89.1 57.1 260 270 A N > + 0 0 84 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.775 19.8 171.8-128.9 85.9 58.7 89.1 60.8 261 271 A P H > S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.826 80.4 60.7 -64.1 -31.1 56.9 86.3 62.7 262 272 A S H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 106.6 45.5 -59.0 -45.8 59.0 87.0 65.8 263 273 A R H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 112.4 50.6 -65.9 -43.2 57.7 90.6 65.9 264 274 A K H X S+ 0 0 109 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.929 113.7 46.2 -56.9 -46.2 54.1 89.4 65.4 265 275 A I H X S+ 0 0 98 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.895 111.8 49.7 -65.0 -43.8 54.5 86.8 68.2 266 276 A L H X S+ 0 0 90 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.932 115.8 43.0 -61.6 -46.8 56.1 89.3 70.6 267 277 A E H X S+ 0 0 46 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.850 110.7 56.5 -65.3 -36.9 53.3 91.8 70.0 268 278 A F H X S+ 0 0 132 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.880 106.8 50.2 -61.0 -39.6 50.7 88.9 70.2 269 279 A L H X S+ 0 0 92 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.865 108.4 51.9 -66.5 -38.8 52.1 88.1 73.7 270 280 A Y H X S+ 0 0 146 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.839 114.2 42.8 -66.3 -35.0 51.8 91.7 74.8 271 281 A S H X S+ 0 0 46 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.691 109.2 55.8 -88.6 -21.6 48.1 91.9 73.7 272 282 A T H < S+ 0 0 61 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.818 107.4 52.0 -73.3 -32.8 47.2 88.5 75.1 273 283 A S H < S+ 0 0 107 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.884 113.3 44.4 -62.4 -42.8 48.5 89.8 78.4 274 284 A Y H < 0 0 207 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.856 360.0 360.0 -67.9 -39.0 46.2 92.8 77.8 275 285 A N < 0 0 174 -4,-2.1 -2,-0.2 -5,-0.0 -3,-0.2 0.995 360.0 360.0 -66.6 360.0 43.3 90.6 76.7