==== 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-JAN-08 3BUV . COMPND 2 MOLECULE: 3-OXO-5-BETA-STEROID 4-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DI COSTANZO,J.DRURY,T.M.PENNING,D.W.CHRISTIANSON . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 30 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 0 0 6 2 2 2 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 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 0 0 PARALLEL BRIDGES PER LADDER . 7 0 2 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 . 2 0 0 0 0 0 0 0 2 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 2 A D 0 0 197 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -93.6 -6.3 4.0 14.0 2 3 A L + 0 0 26 5,-0.1 2,-0.3 3,-0.0 5,-0.2 -0.676 360.0 168.4 -85.8 134.1 -5.7 1.1 11.7 3 4 A S - 0 0 50 3,-2.2 284,-0.1 -2,-0.4 0, 0.0 -0.929 49.4-106.6-140.5 163.8 -8.8 -0.9 10.5 4 5 A A S S+ 0 0 50 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.873 123.4 43.6 -57.7 -37.5 -9.7 -3.5 8.0 5 6 A A S S+ 0 0 101 1,-0.3 2,-0.4 -3,-0.0 -1,-0.2 0.818 127.1 27.0 -78.4 -32.4 -11.4 -0.8 5.9 6 7 A S + 0 0 79 1,-0.1 -3,-2.2 -5,-0.1 -1,-0.3 -0.866 65.3 131.1-138.2 103.0 -8.7 1.8 6.4 7 8 A H + 0 0 7 -2,-0.4 12,-2.8 -5,-0.2 2,-0.4 -0.044 29.1 131.9-141.5 36.2 -5.1 0.9 7.0 8 9 A R E -A 18 0A 89 10,-0.3 8,-0.0 11,-0.1 -2,-0.0 -0.742 37.0-159.3 -91.8 137.7 -3.0 3.0 4.5 9 10 A I E -A 17 0A 27 8,-2.5 8,-2.7 -2,-0.4 -2,-0.0 -0.875 26.8 -94.1-115.0 150.7 0.0 4.8 5.9 10 11 A P E -A 16 0A 108 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.292 26.8-152.2 -68.1 143.8 1.7 7.8 4.2 11 12 A L > - 0 0 9 4,-3.2 3,-1.8 202,-0.0 202,-0.1 -0.824 30.6-112.4-107.7 151.9 4.7 7.7 1.9 12 13 A S T 3 S+ 0 0 50 200,-0.6 201,-0.1 -2,-0.3 175,-0.1 0.619 112.0 61.7 -62.4 -14.4 7.1 10.6 1.7 13 14 A D T 3 S- 0 0 34 2,-0.1 -1,-0.3 173,-0.0 3,-0.1 0.250 124.0 -95.0 -96.3 12.7 6.1 11.5 -1.9 14 15 A G S < S+ 0 0 73 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.255 94.6 105.9 96.4 -14.8 2.5 12.2 -1.0 15 16 A N - 0 0 38 148,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.272 59.0-135.9 -88.5-180.0 1.2 8.7 -1.9 16 17 A S E -A 10 0A 40 -6,-0.3 -8,-0.1 -3,-0.1 -1,-0.0 -0.953 5.9-149.3-138.1 159.4 0.1 6.0 0.6 17 18 A I E -A 9 0A 1 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.2 -0.993 26.0-113.8-134.2 131.5 0.6 2.3 1.1 18 19 A P E -A 8 0A 0 0, 0.0 -10,-0.3 0, 0.0 30,-0.0 -0.449 27.7-133.1 -62.2 130.2 -1.7 -0.3 2.7 19 20 A I S S+ 0 0 2 -12,-2.8 250,-2.8 -2,-0.2 2,-0.4 0.659 90.2 43.8 -62.7 -18.2 0.1 -1.5 5.8 20 21 A I B +b 269 0B 0 248,-0.2 29,-0.5 -13,-0.2 2,-0.3 -0.982 69.1 168.8-127.9 142.3 -0.6 -5.2 4.9 21 22 A G - 0 0 0 248,-2.3 2,-0.6 -2,-0.4 30,-0.3 -0.931 37.2-103.2-143.5 166.8 -0.3 -6.7 1.4 22 23 A L E -c 51 0B 0 28,-2.5 30,-2.7 -2,-0.3 250,-0.2 -0.854 30.9-144.2 -97.4 120.3 -0.3 -10.2 -0.1 23 24 A G E -cd 52 272B 5 248,-1.9 250,-0.6 -2,-0.6 30,-0.2 -0.542 11.1-166.9 -78.0 150.7 3.2 -11.5 -1.1 24 25 A T + 0 0 1 28,-1.0 2,-0.3 -2,-0.2 30,-0.1 0.245 38.9 125.7-127.1 14.9 3.2 -13.6 -4.2 25 26 A Y + 0 0 84 27,-0.1 2,-0.3 28,-0.1 -2,-0.1 -0.607 29.2 159.5 -74.8 133.2 6.6 -15.4 -4.4 26 27 A S - 0 0 15 -2,-0.3 5,-0.1 31,-0.2 10,-0.0 -0.936 50.2 -96.5-155.6 131.1 6.0 -19.1 -4.8 27 28 A E > - 0 0 59 -2,-0.3 3,-0.7 1,-0.2 4,-0.1 -0.282 28.6-145.9 -52.5 113.1 8.5 -21.8 -6.1 28 29 A P G > S+ 0 0 40 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.813 95.5 60.0 -50.4 -33.7 7.6 -22.2 -9.8 29 30 A K G 3 S+ 0 0 171 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.904 116.0 27.5 -64.0 -46.0 8.5 -25.9 -9.5 30 31 A S G < S+ 0 0 85 -3,-0.7 -1,-0.2 2,-0.1 -3,-0.1 -0.110 99.8 98.8-111.6 36.4 5.9 -26.8 -6.8 31 32 A T < - 0 0 28 -3,-0.8 3,-0.1 -5,-0.1 -5,-0.1 -0.967 69.4-127.9-127.1 118.8 3.2 -24.2 -7.5 32 33 A P > - 0 0 94 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.294 35.3-100.6 -61.7 144.3 0.1 -25.1 -9.5 33 34 A K T 3 S+ 0 0 179 1,-0.2 26,-0.0 2,-0.1 0, 0.0 -0.431 109.0 23.4 -65.2 137.2 -0.7 -22.8 -12.4 34 35 A G T 3> S+ 0 0 26 -2,-0.1 4,-2.4 -3,-0.1 -1,-0.2 0.287 87.3 111.3 90.5 -11.0 -3.4 -20.3 -11.5 35 36 A A H <> S+ 0 0 23 -3,-1.7 4,-2.3 1,-0.2 5,-0.1 0.884 79.3 49.3 -63.3 -38.9 -2.8 -20.5 -7.7 36 37 A C H > S+ 0 0 2 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.941 110.6 49.2 -65.9 -47.4 -1.4 -17.0 -7.6 37 38 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.933 112.9 47.5 -57.8 -47.0 -4.4 -15.6 -9.6 38 39 A T H X S+ 0 0 79 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.920 113.0 49.3 -60.4 -44.2 -6.9 -17.4 -7.3 39 40 A S H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.878 108.9 50.8 -64.6 -40.7 -5.0 -16.2 -4.2 40 41 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.903 111.9 48.7 -65.3 -38.5 -4.9 -12.5 -5.3 41 42 A K H X S+ 0 0 46 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.936 112.7 46.7 -66.1 -44.9 -8.6 -12.6 -6.0 42 43 A V H X S+ 0 0 28 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 111.3 53.4 -61.9 -42.1 -9.3 -14.2 -2.5 43 44 A A H X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-1.7 0.937 109.8 46.5 -59.1 -47.5 -7.0 -11.6 -0.9 44 45 A I H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 111.7 51.0 -63.4 -40.2 -8.9 -8.7 -2.5 45 46 A D H <5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.6 52.9 -62.3 -36.6 -12.3 -10.2 -1.5 46 47 A T H <5S- 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.817 130.1 -90.9 -68.6 -33.3 -10.9 -10.5 2.0 47 48 A G T <5S+ 0 0 13 -4,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.296 76.7 140.0 138.7 -9.6 -9.9 -6.9 2.2 48 49 A Y < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 -27,-0.1 -0.400 19.5 174.5 -63.9 140.4 -6.3 -6.8 1.0 49 50 A R + 0 0 59 -29,-0.5 33,-2.6 1,-0.1 2,-0.4 0.205 60.1 70.8-130.4 10.8 -5.5 -3.7 -1.2 50 51 A H E - e 0 82B 1 -30,-0.2 -28,-2.5 31,-0.2 2,-0.4 -0.999 55.9-175.1-134.1 127.8 -1.8 -4.2 -1.6 51 52 A I E -ce 22 83B 0 31,-2.7 33,-2.2 -2,-0.4 2,-0.5 -0.995 9.8-156.6-125.4 130.1 -0.2 -7.0 -3.7 52 53 A D E +ce 23 84B 4 -30,-2.7 -28,-1.0 -2,-0.4 2,-0.2 -0.938 30.7 141.8-109.0 126.9 3.6 -7.5 -3.8 53 54 A G - 0 0 0 31,-2.7 2,-0.3 -2,-0.5 3,-0.1 -0.802 31.8-147.6-147.2-172.0 5.1 -9.2 -6.8 54 55 A A > > - 0 0 0 -2,-0.2 3,-2.0 31,-0.2 5,-0.5 -0.935 27.6-123.2-165.9 142.1 7.9 -9.4 -9.3 55 56 A Y G > 5S+ 0 0 89 31,-0.5 3,-1.9 -2,-0.3 5,-0.4 0.889 111.9 59.4 -55.0 -41.1 8.4 -10.4 -12.9 56 57 A I G 3 5S+ 0 0 29 1,-0.3 -1,-0.3 30,-0.2 74,-0.1 0.558 86.0 75.1 -68.5 -6.3 11.0 -13.0 -11.9 57 58 A Y G < 5S- 0 0 38 -3,-2.0 -1,-0.3 -30,-0.1 -31,-0.2 0.559 100.7-134.6 -79.4 -6.5 8.4 -14.8 -9.7 58 59 A Q T < 5S+ 0 0 120 -3,-1.9 -2,-0.1 -4,-0.2 -3,-0.1 0.549 86.7 81.0 66.4 12.9 7.0 -16.0 -13.1 59 60 A N >>< + 0 0 11 -5,-0.5 4,-1.8 2,-0.1 3,-0.7 0.146 44.5 115.0-132.3 18.9 3.4 -15.2 -12.1 60 61 A E H 3> S+ 0 0 2 -5,-0.4 4,-2.2 1,-0.3 5,-0.2 0.821 77.5 58.5 -62.1 -28.3 3.1 -11.5 -12.7 61 62 A H H 3> S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.846 104.6 51.2 -69.0 -30.8 0.5 -12.2 -15.5 62 63 A E H <> S+ 0 0 17 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.879 107.4 52.8 -71.4 -37.2 -1.6 -14.1 -12.9 63 64 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.940 111.6 45.9 -61.9 -46.3 -1.4 -11.1 -10.6 64 65 A G H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.900 108.9 55.7 -63.4 -41.2 -2.6 -8.8 -13.4 65 66 A E H X S+ 0 0 80 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.937 112.1 43.4 -54.9 -49.3 -5.4 -11.3 -14.3 66 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.930 114.8 47.2 -64.9 -49.1 -6.7 -11.1 -10.7 67 68 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.934 113.7 48.1 -59.7 -47.4 -6.4 -7.4 -10.2 68 69 A R H X S+ 0 0 75 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.862 109.8 52.5 -63.7 -35.9 -8.1 -6.6 -13.6 69 70 A E H X S+ 0 0 80 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.919 109.7 48.7 -66.7 -41.5 -10.9 -9.1 -12.9 70 71 A K H <>S+ 0 0 12 -4,-2.1 5,-2.0 1,-0.2 6,-1.2 0.822 113.1 47.6 -67.8 -30.6 -11.7 -7.4 -9.5 71 72 A I H ><5S+ 0 0 49 -4,-1.8 3,-1.0 4,-0.2 -2,-0.2 0.911 109.2 54.1 -74.8 -42.2 -11.6 -4.0 -11.1 72 73 A A H 3<5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.853 109.6 46.9 -59.7 -37.4 -13.9 -5.2 -14.0 73 74 A E T 3<5S- 0 0 102 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.564 116.8-113.0 -83.2 -7.5 -16.5 -6.5 -11.5 74 75 A G T < 5S+ 0 0 60 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.631 78.8 129.2 87.1 14.1 -16.4 -3.3 -9.5 75 76 A K S > - 0 0 144 -2,-0.3 3,-1.8 -3,-0.1 4,-0.6 -0.708 38.5-105.5-102.9 160.1 -11.1 0.7 -8.7 78 79 A R G >4 S+ 0 0 27 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.897 121.5 57.6 -52.2 -41.5 -7.5 0.9 -10.0 79 80 A E G 34 S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.682 99.7 59.4 -64.3 -18.6 -6.8 3.6 -7.5 80 81 A D G <4 S+ 0 0 56 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.626 94.8 76.4 -84.8 -15.4 -7.8 1.4 -4.6 81 82 A I << - 0 0 0 -3,-1.5 2,-0.6 -4,-0.6 -31,-0.2 -0.820 63.4-159.7-102.2 137.4 -5.2 -1.3 -5.4 82 83 A F E -e 50 0B 3 -33,-2.6 -31,-2.7 -2,-0.4 2,-0.5 -0.957 12.2-175.5-117.1 112.1 -1.5 -0.9 -4.6 83 84 A Y E -e 51 0B 0 -2,-0.6 32,-1.9 -33,-0.2 31,-1.2 -0.936 8.8-160.5-113.1 132.6 0.9 -3.1 -6.7 84 85 A C E -ef 52 115B 0 -33,-2.2 -31,-2.7 -2,-0.5 2,-0.2 -0.940 11.6-178.5-111.3 126.9 4.6 -3.3 -6.1 85 86 A G E - f 0 116B 0 30,-2.6 32,-1.9 -2,-0.5 2,-0.4 -0.729 14.0-137.3-115.4 168.6 6.9 -4.6 -8.9 86 87 A K E - f 0 117B 5 -2,-0.2 2,-0.7 30,-0.2 -31,-0.5 -0.978 8.8-136.2-138.5 146.1 10.7 -5.2 -8.8 87 88 A L E - f 0 118B 0 30,-3.1 32,-2.2 -2,-0.4 33,-0.5 -0.854 33.7-139.1 -98.0 109.5 13.7 -4.6 -11.1 88 89 A W > - 0 0 13 -2,-0.7 3,-2.5 31,-0.2 36,-0.1 -0.203 23.9-102.1 -70.8 160.1 16.0 -7.7 -10.9 89 90 A A G > S+ 0 0 1 1,-0.3 35,-2.2 2,-0.1 3,-0.7 0.696 119.0 60.3 -50.6 -27.6 19.8 -7.7 -10.8 90 91 A T G 3 S+ 0 0 6 1,-0.2 37,-0.4 33,-0.2 -1,-0.3 0.393 102.1 53.6 -85.7 3.7 20.0 -8.6 -14.5 91 92 A N G < S+ 0 0 12 -3,-2.5 -1,-0.2 35,-0.1 -2,-0.1 -0.083 71.0 108.2-128.3 34.3 18.2 -5.4 -15.5 92 93 A H < + 0 0 11 -3,-0.7 5,-0.1 32,-0.3 -1,-0.1 0.594 40.8 113.2 -88.7 -12.5 20.2 -2.7 -13.8 93 94 A V S >> S- 0 0 37 1,-0.1 3,-2.6 -3,-0.1 4,-0.8 -0.452 76.5-125.1 -59.8 126.1 21.8 -1.3 -16.9 94 95 A P H >> S+ 0 0 46 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.854 108.8 53.1 -40.9 -52.1 20.3 2.2 -17.1 95 96 A E H 34 S+ 0 0 150 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.652 108.3 54.4 -62.5 -14.8 19.0 1.8 -20.7 96 97 A M H <> S+ 0 0 54 -3,-2.6 4,-2.0 2,-0.1 -1,-0.3 0.637 87.0 80.1 -93.4 -18.1 17.2 -1.4 -19.5 97 98 A V H S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.873 110.2 51.7 -58.8 -33.5 12.0 -1.3 -20.9 100 101 A T H X S+ 0 0 8 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.909 111.5 45.3 -69.0 -41.7 11.9 -3.7 -18.0 101 102 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.917 110.6 54.5 -66.7 -41.6 9.2 -1.7 -16.2 102 103 A E H X S+ 0 0 36 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.858 104.7 54.9 -60.5 -35.5 7.3 -1.5 -19.5 103 104 A R H X S+ 0 0 81 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.942 108.5 47.9 -62.4 -47.2 7.4 -5.3 -19.8 104 105 A T H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.894 109.9 52.3 -61.7 -39.3 5.9 -5.6 -16.4 105 106 A L H X>S+ 0 0 14 -4,-2.4 5,-1.9 1,-0.2 4,-1.7 0.898 112.1 46.4 -63.2 -38.5 3.1 -3.1 -17.3 106 107 A R H <5S+ 0 0 151 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.857 112.4 50.1 -70.4 -35.6 2.4 -5.2 -20.4 107 108 A V H <5S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.2 38.1 -69.0 -42.0 2.4 -8.4 -18.4 108 109 A L H <5S- 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.749 103.1-135.8 -76.3 -25.9 0.0 -7.0 -15.8 109 110 A Q T <5 + 0 0 126 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.903 61.9 128.7 64.7 44.5 -1.9 -5.2 -18.6 110 111 A L < - 0 0 19 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.885 65.7-130.1-125.4 157.2 -1.9 -2.1 -16.4 111 112 A D S S- 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.689 85.7 -1.9 -82.2 -21.2 -0.9 1.5 -17.1 112 113 A Y - 0 0 14 -7,-0.1 2,-0.3 50,-0.0 50,-0.2 -0.977 62.4-127.2-160.6 163.8 1.3 2.0 -14.1 113 114 A V E - g 0 162B 0 48,-1.6 50,-2.0 -2,-0.3 51,-0.3 -0.881 19.1-134.8-115.0 152.3 2.5 0.3 -10.9 114 115 A D E S+ 0 0 6 -31,-1.2 50,-1.6 -2,-0.3 2,-0.3 0.841 89.9 14.5 -76.5 -32.8 2.1 1.9 -7.5 115 116 A L E -fg 84 164B 2 -32,-1.9 -30,-2.6 48,-0.2 2,-0.4 -0.989 61.9-174.6-145.5 130.8 5.7 1.1 -6.4 116 117 A Y E -fg 85 165B 0 48,-1.9 50,-2.0 -2,-0.3 2,-0.3 -0.998 16.8-176.8-126.6 128.0 8.7 -0.1 -8.4 117 118 A I E -fg 86 166B 0 -32,-1.9 -30,-3.1 -2,-0.4 2,-0.7 -0.924 37.3-107.5-130.6 152.5 11.8 -1.1 -6.6 118 119 A I E -fg 87 167B 0 48,-1.5 50,-1.3 -2,-0.3 -30,-0.2 -0.680 35.7-146.8 -73.6 116.6 15.4 -2.2 -7.2 119 120 A E S S- 0 0 11 -32,-2.2 -1,-0.2 -2,-0.7 -31,-0.2 0.845 73.7 -3.8 -56.8 -43.8 15.1 -5.8 -6.2 120 121 A V - 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0 0 5 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.373 36.7 -88.6 -94.2 179.2 21.8 -1.2 3.6 172 173 A R H > S+ 0 0 89 153,-1.8 4,-2.7 1,-0.2 5,-0.2 0.933 126.0 50.4 -52.8 -53.5 22.6 2.2 5.2 173 174 A R H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 112.1 47.0 -51.2 -53.7 25.5 2.9 3.0 174 175 A Q H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.838 111.8 50.6 -60.3 -36.4 23.6 2.1 -0.2 175 176 A L H >X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 3,-0.5 0.902 109.3 51.4 -68.2 -41.0 20.6 4.2 0.9 176 177 A E H 3X S+ 0 0 55 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.834 100.1 63.9 -64.1 -33.4 22.9 7.1 1.6 177 178 A L H 3< S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.871 113.2 34.3 -58.1 -37.8 24.4 6.7 -1.9 178 179 A I H X< S+ 0 0 1 -4,-1.0 3,-1.4 -3,-0.5 -2,-0.2 0.893 115.8 54.4 -83.4 -45.2 21.0 7.6 -3.3 179 180 A L H 3< S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.810 116.5 39.0 -59.5 -31.9 20.0 10.1 -0.6 180 181 A N T 3< S+ 0 0 121 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.284 85.3 133.4-102.4 9.4 23.1 12.1 -1.1 181 182 A K X - 0 0 12 -3,-1.4 3,-1.4 1,-0.1 2,-0.2 -0.372 66.4-107.3 -63.3 132.6 23.2 11.8 -4.9 182 183 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.430 103.8 11.2 -63.3 127.0 23.9 15.1 -6.6 183 184 A G T 3 S- 0 0 67 1,-0.2 -2,-0.1 -2,-0.2 2,-0.1 0.800 85.4-174.7 76.4 28.8 20.7 16.3 -8.3 184 185 A L < + 0 0 42 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 -0.364 10.4 177.2 -58.8 130.8 18.5 13.8 -6.6 185 186 A K + 0 0 91 1,-0.3 2,-0.5 -2,-0.1 -1,-0.2 0.836 67.0 25.6-102.2 -51.7 14.9 14.1 -7.9 186 187 A H S S- 0 0 17 -36,-0.1 -1,-0.3 -22,-0.0 -32,-0.1 -0.944 72.4-148.6-122.2 112.6 13.0 11.3 -6.2 187 188 A K - 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