==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAY-12 4AT0 . COMPND 2 MOLECULE: 3-KETOSTEROID-DELTA4-5ALPHA-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR N.VAN OOSTERWIJK,J.KNOL,L.DIJKHUIZEN,R.VAN DER GEIZE,B.W.DIJ . 483 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 12.0 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 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 . 31 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 1 0 3 0 2 1 2 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 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 PARALLEL BRIDGES PER LADDER . 4 4 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 1 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 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 7 A I 0 0 81 0, 0.0 201,-0.4 0, 0.0 271,-0.1 0.000 360.0 360.0 360.0 -22.3 39.1 46.2 26.5 2 8 A R - 0 0 217 1,-0.1 271,-0.1 199,-0.1 267,-0.1 -0.400 360.0 -92.7 -64.8 144.6 41.9 48.9 26.1 3 9 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 200,-0.2 -0.288 34.4-127.1 -64.6 150.2 42.3 50.8 29.3 4 10 A R E -a 203 0A 66 198,-2.3 200,-2.4 -3,-0.1 2,-0.3 -0.780 22.4-121.8 -91.9 133.1 40.3 54.1 29.8 5 11 A S E > -a 204 0A 46 -2,-0.4 3,-1.8 198,-0.2 4,-0.2 -0.628 14.7-133.6 -74.9 136.9 42.4 57.1 30.8 6 12 A A G > S+ 0 0 25 198,-2.5 3,-1.5 -2,-0.3 -1,-0.1 0.781 103.8 66.9 -60.0 -27.1 41.1 58.6 34.1 7 13 A T G 3 S+ 0 0 118 197,-0.3 -1,-0.3 1,-0.3 198,-0.1 0.721 96.3 55.7 -65.6 -21.7 41.2 62.1 32.4 8 14 A T G < S+ 0 0 69 -3,-1.8 2,-0.8 2,-0.0 -1,-0.3 0.455 82.2 98.7 -91.7 -3.0 38.4 61.0 30.2 9 15 A V < - 0 0 16 -3,-1.5 3,-0.1 -4,-0.2 -3,-0.0 -0.794 50.9-176.0 -86.3 110.0 36.1 60.0 33.1 10 16 A T + 0 0 143 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.835 68.3 4.8 -78.5 -34.3 33.8 63.0 33.5 11 17 A E - 0 0 135 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 -0.983 67.2-129.8-151.7 141.9 32.0 61.7 36.6 12 18 A W - 0 0 66 -2,-0.3 212,-0.2 1,-0.1 3,-0.1 -0.814 9.7-162.3 -91.3 121.4 32.4 58.7 38.9 13 19 A D S S+ 0 0 60 210,-1.5 2,-0.3 -2,-0.6 211,-0.2 0.822 79.2 9.0 -67.8 -33.6 29.1 56.8 39.5 14 20 A Y E -b 224 0A 53 209,-1.5 211,-2.7 2,-0.0 2,-0.3 -0.958 67.9-164.1-143.6 155.9 30.5 55.0 42.5 15 21 A E E +b 225 0A 75 -2,-0.3 2,-0.3 209,-0.2 211,-0.2 -0.994 15.8 153.0-144.8 145.2 33.7 55.4 44.6 16 22 A A E -b 226 0A 0 209,-2.1 211,-2.7 -2,-0.3 212,-0.2 -0.945 47.3-118.7-154.7 169.7 35.4 53.2 47.2 17 23 A D E S+ 0 0 19 23,-1.7 211,-2.8 1,-0.3 212,-2.0 0.919 107.1 26.2 -75.1 -51.2 38.9 52.6 48.6 18 24 A V E S-bc 229 41A 0 22,-2.5 24,-2.5 210,-0.2 2,-0.6 -0.976 72.0-164.8-120.1 121.5 38.9 48.9 47.5 19 25 A V E -bc 230 42A 1 210,-2.4 212,-3.0 -2,-0.5 2,-0.6 -0.935 6.6-162.6-109.0 119.0 36.8 47.8 44.5 20 26 A V E -bc 231 43A 0 22,-2.6 24,-3.1 -2,-0.6 2,-0.8 -0.924 6.4-152.6-107.2 118.1 36.4 44.0 44.2 21 27 A A E +bc 232 44A 1 210,-3.2 212,-2.4 -2,-0.6 24,-0.2 -0.819 69.1 25.8 -92.2 108.8 35.2 42.7 40.9 22 28 A G - 0 0 7 22,-3.0 2,-0.4 -2,-0.8 23,-0.2 0.375 65.2-135.6 110.6 122.4 33.3 39.4 41.5 23 29 A Y + 0 0 4 26,-0.2 28,-2.8 4,-0.1 2,-0.1 -0.398 67.2 103.7-106.5 55.0 31.4 38.2 44.6 24 30 A G S > S- 0 0 12 209,-0.5 4,-2.6 -2,-0.4 5,-0.3 -0.180 93.3 -60.0-106.2-150.3 32.6 34.6 44.8 25 31 A I H > S+ 0 0 10 26,-0.3 4,-2.3 1,-0.2 5,-0.2 0.931 134.5 44.2 -66.4 -46.5 35.1 33.1 47.2 26 32 A A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 116.0 49.4 -63.5 -40.5 38.1 35.2 46.2 27 33 A G H > S+ 0 0 0 206,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.911 111.6 45.7 -69.4 -41.6 36.0 38.4 46.2 28 34 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.925 112.7 51.3 -69.0 -39.7 34.4 37.9 49.6 29 35 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.921 111.4 47.6 -62.1 -42.2 37.7 36.9 51.2 30 36 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.922 110.4 53.5 -61.0 -44.1 39.4 40.1 49.8 31 37 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.870 107.2 50.9 -60.2 -39.3 36.4 42.2 51.0 32 38 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.948 113.6 43.2 -65.9 -48.5 36.7 40.9 54.6 33 39 A E H X S+ 0 0 24 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.911 114.3 49.7 -65.1 -42.7 40.4 41.6 54.9 34 40 A A H <>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 -1,-0.2 0.903 113.1 46.6 -64.5 -40.1 40.1 45.1 53.2 35 41 A A H ><5S+ 0 0 15 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 0.896 109.9 53.6 -70.0 -39.3 37.2 46.1 55.5 36 42 A R H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 103.9 57.5 -61.3 -28.8 39.1 44.8 58.6 37 43 A A T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.458 126.0-103.5 -80.8 -4.5 42.0 47.0 57.5 38 44 A G T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.452 73.6 141.6 96.6 4.3 39.7 50.0 57.7 39 45 A A < - 0 0 10 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.3 -0.477 58.9-115.6 -77.9 149.9 39.1 50.5 53.9 40 46 A D - 0 0 51 -2,-0.1 -22,-2.5 441,-0.1 -23,-1.7 -0.772 42.9-159.2 -78.6 115.3 35.8 51.5 52.3 41 47 A V E -c 18 0A 3 -2,-0.7 151,-2.6 149,-0.2 2,-0.5 -0.877 19.4-178.4-113.6 130.5 35.0 48.3 50.3 42 48 A L E -cd 19 192A 1 -24,-2.5 -22,-2.6 -2,-0.5 2,-0.4 -0.984 10.9-157.5-127.0 120.4 32.7 48.0 47.3 43 49 A V E -cd 20 193A 0 149,-3.1 151,-2.6 -2,-0.5 2,-0.5 -0.832 4.9-155.6 -95.3 135.4 32.0 44.6 45.6 44 50 A L E -cd 21 194A 3 -24,-3.1 -22,-3.0 -2,-0.4 2,-0.5 -0.956 12.8-172.5-112.3 117.0 30.8 44.6 42.0 45 51 A E - 0 0 14 149,-2.9 152,-3.0 -2,-0.5 151,-0.2 -0.944 20.3-152.5-118.2 131.0 28.8 41.5 41.0 46 52 A R S S+ 0 0 78 -2,-0.5 152,-0.1 150,-0.3 -1,-0.1 0.821 80.1 52.9 -68.9 -36.0 27.7 40.7 37.4 47 53 A T S S- 0 0 44 2,-0.3 149,-2.0 149,-0.1 150,-0.4 -0.162 101.9 -94.1 -90.0-169.7 24.7 38.6 38.4 48 54 A S S S+ 0 0 118 147,-0.2 2,-0.3 148,-0.1 147,-0.1 0.479 99.2 18.2 -87.2 -0.8 21.8 39.4 40.7 49 55 A G S S- 0 0 26 146,-0.0 3,-0.4 -26,-0.0 -2,-0.3 -0.964 81.1 -86.8-161.0 170.7 23.4 37.8 43.8 50 56 A W S S+ 0 0 73 -2,-0.3 -26,-0.2 1,-0.2 -2,-0.1 -0.350 80.7 66.0 -83.7 163.9 26.5 36.5 45.5 51 57 A G >> - 0 0 1 -28,-2.8 4,-1.9 -2,-0.1 3,-0.6 -0.171 56.2-172.8 128.4 -39.9 28.1 33.1 45.4 52 58 A G T 34 S- 0 0 24 -3,-0.4 4,-0.4 1,-0.2 3,-0.3 -0.074 70.1 -30.0 47.7-145.7 29.3 32.5 41.8 53 59 A A T >> S+ 0 0 23 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.773 134.2 72.5 -67.5 -25.8 30.6 29.0 41.1 54 60 A T G X4 S+ 0 0 13 -3,-0.6 3,-1.5 1,-0.3 -2,-0.2 0.905 90.9 54.4 -58.1 -45.1 31.7 28.7 44.7 55 61 A A G 3< S+ 0 0 12 -4,-1.9 118,-1.7 -3,-0.3 121,-0.7 0.738 110.7 47.4 -65.3 -20.0 28.1 28.4 46.0 56 62 A L G <4 S+ 0 0 36 -3,-0.9 114,-2.8 -4,-0.4 -1,-0.3 0.459 92.7 106.7 -93.8 -3.7 27.5 25.4 43.6 57 63 A A S << S- 0 0 28 -3,-1.5 118,-2.8 -4,-0.5 119,-0.4 -0.257 84.4-112.6 -80.6 164.0 30.8 23.6 44.5 58 64 A G - 0 0 12 116,-0.2 116,-0.3 115,-0.2 -1,-0.1 0.763 53.8-121.1 -65.9 -22.0 31.1 20.4 46.6 59 65 A G + 0 0 1 1,-0.3 2,-0.1 115,-0.3 -1,-0.1 0.512 54.5 157.8 95.4 7.8 32.8 22.7 49.1 60 66 A F - 0 0 12 101,-0.2 2,-0.4 99,-0.1 406,-0.4 -0.438 20.3-168.7 -62.3 139.7 36.2 21.0 49.4 61 67 A I E -I 160 0B 0 99,-1.7 99,-2.4 405,-0.1 2,-1.0 -0.996 21.7-131.0-132.1 120.1 38.9 23.4 50.6 62 68 A Y E +I 159 0B 0 401,-2.4 2,-0.3 -2,-0.4 97,-0.2 -0.617 48.3 146.6 -83.1 100.5 42.5 22.1 50.3 63 69 A L + 0 0 0 95,-2.5 2,-0.3 -2,-1.0 4,-0.1 -0.927 7.1 126.2-136.8 153.5 44.1 22.6 53.7 64 70 A G + 0 0 0 -2,-0.3 46,-0.2 39,-0.1 43,-0.1 -0.902 20.7 122.7-174.2-157.7 46.6 20.8 55.8 65 71 A G S S- 0 0 11 13,-0.3 12,-0.1 -2,-0.3 15,-0.1 0.532 112.4 -39.6 86.8 9.7 49.9 20.9 57.8 66 72 A G S S- 0 0 10 12,-0.2 -1,-0.1 10,-0.1 -2,-0.1 0.819 78.9-176.4 105.9 52.1 48.1 19.8 60.9 67 73 A T > - 0 0 0 1,-0.1 4,-2.6 -4,-0.1 5,-0.2 -0.353 41.8-108.7 -70.3 159.1 44.7 21.5 61.1 68 74 A P H > S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.842 122.1 53.9 -54.5 -32.8 42.5 21.0 64.2 69 75 A L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.929 107.6 47.7 -69.2 -45.7 40.3 18.9 61.9 70 76 A Q H 4>S+ 0 0 0 1,-0.2 5,-2.3 2,-0.2 4,-0.5 0.934 114.1 48.7 -57.7 -45.8 43.1 16.6 60.7 71 77 A K H ><5S+ 0 0 139 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.913 108.5 52.3 -62.0 -43.4 44.2 16.2 64.4 72 78 A A H 3<5S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 112.7 46.3 -63.9 -27.0 40.6 15.4 65.6 73 79 A C T 3<5S- 0 0 29 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.445 119.5-110.6 -95.4 -2.4 40.4 12.7 62.9 74 80 A G T < 5 + 0 0 65 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.859 69.1 136.5 80.5 39.4 43.8 11.3 63.7 75 81 A F < - 0 0 48 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.969 43.0-144.4-122.0 119.9 45.9 12.3 60.7 76 82 A D + 0 0 141 -2,-0.5 2,-0.3 79,-0.1 -10,-0.1 -0.500 31.4 153.1 -73.7 148.7 49.4 13.6 61.0 77 83 A D - 0 0 11 -2,-0.2 3,-0.1 -12,-0.1 -13,-0.0 -0.956 20.3-166.6-163.9 164.7 50.5 16.3 58.5 78 84 A S > - 0 0 47 -2,-0.3 4,-2.6 1,-0.1 -13,-0.3 -0.969 39.0-107.0-149.7 162.3 53.0 19.2 58.3 79 85 A P H > S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.879 120.5 52.5 -60.8 -37.6 53.6 22.1 56.0 80 86 A E H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.913 111.1 45.8 -64.2 -42.6 56.7 20.4 54.6 81 87 A N H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 113.2 49.6 -64.6 -43.9 54.8 17.2 53.8 82 88 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 111.9 49.0 -59.5 -43.7 51.9 19.1 52.3 83 89 A K H X S+ 0 0 29 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.918 108.6 53.3 -62.4 -44.1 54.4 21.1 50.1 84 90 A T H X S+ 0 0 50 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.936 112.8 44.5 -58.4 -45.8 56.1 17.8 49.0 85 91 A F H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.941 114.2 47.5 -61.5 -51.2 52.8 16.4 47.9 86 92 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.892 109.9 52.1 -65.3 -39.2 51.6 19.6 46.1 87 93 A M H < S+ 0 0 55 -4,-2.9 4,-0.3 1,-0.2 7,-0.3 0.900 116.1 41.9 -61.6 -40.1 54.9 20.1 44.2 88 94 A A H < S+ 0 0 46 -4,-1.7 -2,-0.2 -5,-0.3 3,-0.2 0.869 123.3 35.7 -72.0 -38.7 54.7 16.6 42.9 89 95 A A H < S+ 0 0 9 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.699 115.4 48.5 -91.8 -21.4 51.0 16.4 42.1 90 96 A L S < S+ 0 0 0 -4,-2.3 367,-2.8 -5,-0.2 368,-1.2 0.260 106.4 41.1-112.0 12.2 50.1 19.9 40.8 91 97 A G - 0 0 12 -4,-0.3 368,-2.1 -3,-0.2 2,-0.2 -0.010 29.4-174.5 -97.8-157.2 52.9 20.4 38.3 92 98 A P S S+ 0 0 121 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.507 119.7 8.1 -74.8 164.8 54.9 20.2 36.2 93 99 A G S S+ 0 0 58 1,-0.2 -2,-0.1 -2,-0.2 -6,-0.0 0.777 87.3 177.5 70.7 26.3 56.4 23.7 36.8 94 100 A A - 0 0 14 -7,-0.3 2,-1.0 1,-0.1 -1,-0.2 -0.301 41.1-101.8 -61.6 147.9 54.4 24.3 39.9 95 101 A D > - 0 0 40 359,-0.3 4,-3.0 360,-0.3 5,-0.2 -0.610 35.7-169.7 -76.7 100.8 55.1 27.7 41.6 96 102 A E H > S+ 0 0 112 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.894 83.4 51.4 -64.0 -40.7 57.3 26.7 44.5 97 103 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 114.4 43.2 -60.7 -46.9 57.2 30.1 46.2 98 104 A K H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.938 115.5 47.4 -67.2 -47.5 53.4 30.2 46.1 99 105 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.931 112.2 50.4 -61.4 -41.4 52.9 26.6 47.2 100 106 A T H X S+ 0 0 37 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.943 112.5 47.2 -60.2 -46.7 55.4 27.0 50.1 101 107 A D H X S+ 0 0 35 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.915 111.9 50.0 -59.5 -45.5 53.5 30.1 51.2 102 108 A Y H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.8 45.4 -62.1 -41.3 50.1 28.4 51.0 103 109 A C H >< S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.916 110.8 51.9 -69.6 -44.0 51.3 25.4 53.0 104 110 A E H 3< S+ 0 0 117 -4,-2.8 4,-0.2 1,-0.3 -1,-0.2 0.804 117.7 39.8 -64.7 -29.0 53.1 27.5 55.7 105 111 A G T 3X S+ 0 0 15 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.323 87.8 100.8 -99.1 8.4 49.9 29.5 56.2 106 112 A S H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.898 80.5 46.1 -68.2 -45.5 47.4 26.6 55.9 107 113 A V H > S+ 0 0 41 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.937 113.5 50.8 -64.5 -42.0 46.5 26.0 59.5 108 114 A E H > S+ 0 0 97 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.5 50.9 -59.1 -38.1 46.1 29.7 60.2 109 115 A H H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 107.3 51.5 -70.2 -39.0 43.8 29.9 57.2 110 116 A Y H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.951 112.1 47.3 -57.2 -50.2 41.7 27.0 58.5 111 117 A N H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.851 108.9 55.3 -61.7 -34.8 41.4 28.8 61.8 112 118 A W H X S+ 0 0 16 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.902 107.9 48.3 -63.5 -42.2 40.5 32.0 60.0 113 119 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.3 0.922 111.4 49.3 -64.2 -43.6 37.7 30.4 58.2 114 120 A V H ><5S+ 0 0 59 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.903 107.9 55.5 -61.5 -39.7 36.4 28.8 61.5 115 121 A D H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 103.6 54.9 -63.6 -31.9 36.6 32.3 63.1 116 122 A C T 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -3,-0.2 69,-0.2 0.467 130.0 -95.7 -78.0 -4.5 34.4 33.7 60.3 117 123 A G T < 5S+ 0 0 44 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.548 71.9 149.4 102.8 9.8 31.8 31.1 61.1 118 124 A V < - 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