==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (OXYGENASE) 14-JUL-95 1OXA . COMPND 2 MOLECULE: CYTOCHROME P450 ERYF; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR J.R.CUPP-VICKERY,T.L.POULOS . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 27 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 2 0 2 2 3 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 156 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.0 -38.9 -3.8 -1.2 2 3 A T - 0 0 137 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.934 360.0-162.5-120.5 107.7 -35.7 -5.3 0.3 3 4 A V - 0 0 78 -2,-0.5 2,-0.2 28,-0.1 28,-0.2 -0.712 19.3-122.9 -91.7 136.5 -33.5 -3.0 2.4 4 5 A P - 0 0 32 0, 0.0 28,-2.7 0, 0.0 2,-0.6 -0.501 14.6-144.1 -75.2 145.7 -29.8 -4.0 3.1 5 6 A D B > -a 32 0A 59 26,-0.2 3,-2.5 -2,-0.2 6,-0.2 -0.953 5.1-148.2-112.6 114.3 -28.7 -4.3 6.7 6 7 A L T 3 S+ 0 0 0 26,-2.4 27,-0.1 -2,-0.6 -1,-0.1 0.571 94.2 68.8 -60.0 -6.0 -25.1 -3.1 7.1 7 8 A E T 3 S+ 0 0 65 25,-0.3 -1,-0.3 3,-0.0 26,-0.1 0.629 79.1 102.2 -86.6 -14.8 -24.6 -5.6 9.9 8 9 A S S X S- 0 0 42 -3,-2.5 3,-1.8 1,-0.1 4,-0.0 -0.240 87.8-109.9 -67.8 158.9 -24.9 -8.6 7.5 9 10 A D G >> S+ 0 0 94 1,-0.3 3,-2.0 2,-0.2 4,-1.3 0.680 110.0 78.2 -64.0 -16.1 -21.8 -10.5 6.4 10 11 A S G 34 S+ 0 0 64 1,-0.3 8,-0.3 2,-0.2 -1,-0.3 0.749 94.6 49.5 -65.0 -23.0 -22.2 -9.0 2.9 11 12 A F G <4 S+ 0 0 4 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.240 119.9 36.4 -98.3 12.5 -20.7 -5.9 4.3 12 13 A H T <4 S+ 0 0 25 -3,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.354 107.6 62.7-142.3 0.7 -17.8 -7.7 5.9 13 14 A V S < S- 0 0 88 -4,-1.3 -1,-0.2 1,-0.1 5,-0.1 -0.927 132.2 -23.6-133.8 103.0 -16.9 -10.5 3.4 14 15 A D S >> S+ 0 0 116 -2,-0.4 3,-2.1 -3,-0.1 4,-0.9 0.873 84.3 170.2 60.9 40.4 -15.8 -9.3 0.0 15 16 A W H 3> + 0 0 13 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.728 63.2 67.0 -57.5 -28.6 -17.6 -6.1 0.8 16 17 A Y H 3> S+ 0 0 13 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.665 99.8 53.8 -68.9 -13.7 -16.3 -4.1 -2.2 17 18 A S H <> S+ 0 0 42 -3,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.837 108.7 48.5 -82.6 -38.3 -18.2 -6.5 -4.4 18 19 A T H X S+ 0 0 34 -4,-0.9 4,-2.3 -8,-0.3 -2,-0.2 0.882 110.2 50.5 -67.7 -40.8 -21.4 -5.7 -2.4 19 20 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.875 109.3 53.4 -64.6 -36.8 -20.7 -1.9 -2.7 20 21 A A H X S+ 0 0 15 -4,-0.9 4,-2.1 -5,-0.2 5,-0.2 0.962 109.2 46.8 -61.5 -52.9 -20.3 -2.4 -6.4 21 22 A E H X S+ 0 0 96 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.897 115.0 47.2 -57.5 -42.6 -23.6 -4.2 -6.8 22 23 A L H X S+ 0 0 23 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.924 108.8 55.2 -65.8 -43.7 -25.4 -1.5 -4.7 23 24 A R H < S+ 0 0 22 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.897 107.2 47.3 -56.6 -49.1 -23.7 1.4 -6.6 24 25 A E H < S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.4 45.7 -65.5 -30.4 -24.9 0.3 -10.1 25 26 A T H < S- 0 0 113 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.967 139.6 -17.4 -74.6 -56.4 -28.4 -0.2 -8.7 26 27 A A < - 0 0 27 -4,-3.2 -1,-0.3 -5,-0.1 16,-0.2 -0.900 49.6-153.8-156.7 118.2 -28.6 3.1 -6.8 27 28 A P S S+ 0 0 41 0, 0.0 15,-2.4 0, 0.0 16,-1.2 0.669 98.5 40.6 -64.3 -21.6 -25.7 5.3 -5.7 28 29 A V E S+ B 0 41A 5 13,-0.2 13,-0.2 273,-0.2 272,-0.0 -0.972 82.8 166.4-129.5 109.6 -27.8 6.6 -2.8 29 30 A T E - B 0 40A 20 11,-2.3 11,-3.1 -2,-0.4 2,-0.1 -0.982 36.6-116.0-132.7 141.4 -29.8 3.8 -1.2 30 31 A P E + B 0 39A 51 0, 0.0 2,-0.3 0, 0.0 9,-0.3 -0.464 41.8 172.0 -72.4 147.2 -31.7 3.4 2.0 31 32 A V E - B 0 38A 1 7,-3.3 7,-2.9 -28,-0.2 2,-0.4 -0.882 31.2-118.5-146.0 174.7 -30.3 0.8 4.5 32 33 A R E +aB 5 37A 86 -28,-2.7 -26,-2.4 -2,-0.3 -25,-0.3 -0.962 33.4 167.2-120.0 136.9 -30.8 -0.5 8.0 33 34 A F E > - B 0 36A 13 3,-2.4 3,-2.1 -2,-0.4 -2,-0.0 -0.916 66.2 -12.2-155.2 126.9 -27.9 -0.2 10.5 34 35 A L T 3 S- 0 0 31 -2,-0.3 3,-0.1 1,-0.3 -29,-0.0 0.777 128.6 -52.8 54.8 31.5 -27.9 -0.7 14.3 35 36 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.419 118.0 99.5 88.4 -2.0 -31.7 -0.7 14.3 36 37 A Q E < S-B 33 0A 44 -3,-2.1 -3,-2.4 34,-0.0 2,-0.5 -0.775 73.3-113.2-118.2 160.2 -32.2 2.6 12.4 37 38 A D E +B 32 0A 117 -2,-0.3 273,-0.5 -5,-0.2 2,-0.3 -0.800 46.0 163.0 -90.5 130.5 -33.0 3.6 8.8 38 39 A A E -Bc 31 310A 3 -7,-2.9 -7,-3.3 -2,-0.5 2,-0.5 -0.823 36.6-113.5-139.8 176.8 -30.2 5.3 7.1 39 40 A W E -Bc 30 311A 46 271,-1.9 273,-3.5 -9,-0.3 2,-0.5 -0.979 21.6-155.4-121.1 121.8 -28.9 6.3 3.6 40 41 A L E -Bc 29 312A 1 -11,-3.1 -11,-2.3 -2,-0.5 2,-0.7 -0.861 3.3-158.0-100.1 122.9 -25.8 4.8 2.2 41 42 A V E +Bc 28 313A 0 271,-2.5 273,-2.4 -2,-0.5 277,-0.2 -0.897 22.9 161.5-103.2 109.4 -24.0 6.8 -0.5 42 43 A T + 0 0 1 -15,-2.4 2,-0.2 -2,-0.7 -14,-0.1 0.614 42.8 95.3-101.3 -19.1 -21.7 4.6 -2.6 43 44 A G S > S- 0 0 0 -16,-1.2 4,-3.0 1,-0.1 5,-0.2 -0.548 70.3-133.7 -79.4 144.6 -21.1 6.7 -5.7 44 45 A Y H > S+ 0 0 4 -2,-0.2 4,-2.9 274,-0.2 5,-0.2 0.940 105.2 41.1 -58.5 -55.8 -18.1 8.8 -6.1 45 46 A D H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 117.3 49.4 -62.1 -39.0 -19.8 12.0 -7.3 46 47 A E H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 112.6 47.3 -66.8 -43.2 -22.6 11.6 -4.9 47 48 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.930 113.4 47.7 -64.9 -45.4 -20.2 11.0 -2.0 48 49 A K H X S+ 0 0 81 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.914 112.8 50.0 -62.9 -40.1 -18.1 14.0 -3.0 49 50 A A H X S+ 0 0 48 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.915 109.5 50.7 -63.7 -44.3 -21.3 16.1 -3.3 50 51 A A H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 6,-0.2 0.876 108.5 50.6 -63.3 -39.4 -22.6 15.0 0.2 51 52 A L H 3< S+ 0 0 10 -4,-2.1 296,-0.2 1,-0.2 -1,-0.2 0.811 112.7 48.1 -69.1 -28.7 -19.3 15.9 1.9 52 53 A S H 3< S+ 0 0 67 -4,-1.3 2,-0.8 -5,-0.2 -1,-0.2 0.540 92.0 91.7 -86.7 -11.1 -19.4 19.3 0.3 53 54 A D X< - 0 0 35 -4,-0.7 3,-1.5 -3,-0.5 -1,-0.0 -0.784 58.2-165.7 -91.2 109.8 -23.1 19.9 1.2 54 55 A L T 3 S+ 0 0 99 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.492 80.4 78.5 -72.7 -4.3 -23.2 21.7 4.6 55 56 A R T 3 S+ 0 0 89 1,-0.1 240,-2.3 2,-0.1 2,-1.0 0.708 82.5 75.9 -73.1 -18.5 -27.0 20.9 5.0 56 57 A L E < S-D 294 0A 4 -3,-1.5 238,-0.3 -6,-0.2 -1,-0.1 -0.843 88.2-149.6 -93.9 98.9 -25.6 17.5 6.0 57 58 A S E -D 293 0A 4 236,-2.9 236,-2.3 -2,-1.0 -2,-0.1 -0.297 24.2-158.2 -71.2 158.6 -24.4 18.4 9.5 58 59 A S + 0 0 4 234,-0.2 -1,-0.1 -4,-0.1 35,-0.1 0.361 65.8 101.8-112.8 -2.1 -21.4 16.8 11.3 59 60 A D > - 0 0 16 234,-0.1 3,-1.0 1,-0.1 33,-0.1 -0.757 43.0-179.0 -96.7 110.3 -22.7 17.8 14.8 60 61 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.544 79.0 68.8 -79.0 -9.4 -24.5 15.1 16.9 61 62 A K T 3 S+ 0 0 59 30,-0.3 2,-0.2 25,-0.2 -2,-0.0 0.454 72.9 110.4 -86.9 -8.6 -25.2 17.6 19.7 62 63 A K < - 0 0 79 -3,-1.0 2,-0.4 1,-0.0 7,-0.2 -0.515 59.5-143.3 -73.4 139.7 -27.7 19.7 17.8 63 64 A K - 0 0 130 -2,-0.2 5,-0.1 5,-0.1 -2,-0.1 -0.877 18.4-177.9-106.4 136.4 -31.3 19.4 18.9 64 65 A Y > - 0 0 43 3,-0.5 3,-1.7 -2,-0.4 2,-0.2 -0.911 41.4 -76.3-129.5 157.6 -34.3 19.5 16.6 65 66 A P T 3 S- 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.339 109.7 -17.6 -58.1 115.4 -38.1 19.4 17.1 66 67 A G T 3 S+ 0 0 92 -2,-0.2 2,-0.4 1,-0.2 -3,-0.0 0.754 109.2 125.2 59.3 25.5 -39.3 15.9 18.0 67 68 A V < - 0 0 24 -3,-1.7 2,-0.6 2,-0.0 -3,-0.5 -0.927 50.5-156.3-119.5 139.7 -36.1 14.4 16.7 68 69 A E - 0 0 174 -2,-0.4 2,-0.4 -3,-0.1 -5,-0.1 -0.911 19.6-147.8-112.8 96.2 -33.6 12.2 18.6 69 70 A V + 0 0 11 -2,-0.6 2,-0.4 -7,-0.2 224,-0.0 -0.552 23.3 174.8 -68.5 122.6 -30.3 12.6 16.8 70 71 A E - 0 0 95 -2,-0.4 -2,-0.1 5,-0.0 5,-0.1 -0.865 17.1-165.0-137.0 100.4 -28.4 9.3 17.0 71 72 A F > - 0 0 13 -2,-0.4 3,-2.1 1,-0.1 222,-0.0 -0.712 24.1-134.8 -80.6 127.3 -25.0 8.8 15.2 72 73 A P G > S+ 0 0 7 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.751 99.0 69.4 -56.8 -21.3 -24.2 5.0 15.1 73 74 A A G 3 S+ 0 0 19 1,-0.3 -2,-0.0 3,-0.0 102,-0.0 0.621 92.4 58.9 -73.0 -12.4 -20.6 5.6 16.2 74 75 A Y G X S+ 0 0 32 -3,-2.1 3,-2.5 3,-0.1 -1,-0.3 0.065 75.0 156.8-103.5 25.4 -21.8 6.6 19.7 75 76 A L T < S+ 0 0 29 -3,-1.3 102,-0.1 1,-0.3 -41,-0.0 -0.289 73.9 1.4 -52.9 115.0 -23.5 3.3 20.2 76 77 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 108,-0.1 -2,-0.0 0.412 93.9 138.5 85.1 -0.9 -23.7 2.8 23.9 77 78 A F < - 0 0 22 -3,-2.5 -1,-0.2 111,-0.1 108,-0.1 -0.629 52.4-128.6 -82.0 128.7 -22.2 6.1 24.9 78 79 A P > - 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.359 31.0-105.8 -67.4 159.8 -23.9 7.9 27.9 79 80 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 117.2 54.2 -57.8 -40.4 -24.7 11.6 27.0 80 81 A D H > S+ 0 0 71 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.922 114.3 39.5 -61.8 -44.0 -21.9 13.0 29.2 81 82 A V H > S+ 0 0 0 2,-0.2 4,-1.5 -3,-0.2 3,-0.5 0.881 111.2 58.6 -74.6 -35.3 -19.2 11.0 27.5 82 83 A R H >X S+ 0 0 31 -4,-2.6 4,-1.5 1,-0.3 3,-0.8 0.946 104.7 51.8 -56.3 -47.1 -20.7 11.4 24.1 83 84 A N H 3< S+ 0 0 55 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.795 106.7 53.5 -60.8 -29.2 -20.4 15.2 24.6 84 85 A Y H 3< S+ 0 0 60 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.3 0.769 111.1 45.3 -75.5 -28.3 -16.7 14.7 25.4 85 86 A F H << S+ 0 0 21 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.661 116.3 50.1 -84.4 -19.9 -16.1 12.8 22.2 86 87 A A S < S+ 0 0 0 -4,-1.5 -25,-0.2 -5,-0.2 -1,-0.2 -0.103 80.1 84.6-117.0 38.4 -18.1 15.4 20.2 87 88 A T S S+ 0 0 29 -3,-0.4 146,-0.4 141,-0.2 2,-0.3 -0.420 74.7 85.1-131.5 55.2 -16.9 18.9 21.0 88 89 A N S > S- 0 0 4 144,-0.2 3,-1.8 -3,-0.1 13,-0.1 -0.861 97.3 -78.6-141.8 176.3 -14.0 19.1 18.6 89 90 A M G > S+ 0 0 13 -2,-0.3 3,-1.3 1,-0.3 12,-0.1 0.811 123.3 56.2 -54.0 -38.1 -13.7 20.1 14.9 90 91 A G G 3 S+ 0 0 46 1,-0.3 -1,-0.3 7,-0.0 258,-0.1 0.581 113.0 43.1 -71.1 -11.3 -14.9 16.7 13.4 91 92 A T G < S+ 0 0 10 -3,-1.8 2,-0.3 -32,-0.1 -30,-0.3 -0.153 104.3 80.7-124.5 35.2 -18.2 17.0 15.4 92 93 A S < - 0 0 1 -3,-1.3 -5,-0.1 -33,-0.1 -34,-0.0 -0.944 60.5-147.2-138.1 157.5 -18.9 20.7 14.8 93 94 A D >> - 0 0 15 -2,-0.3 4,-2.2 -35,-0.1 3,-0.8 -0.778 48.3 -44.6-119.2 162.8 -20.4 22.8 12.0 94 95 A P T 34 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.401 119.3 26.1 -63.6 152.2 -19.3 26.4 11.0 95 96 A P T 3> S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.998 129.7 44.2 -85.1 -5.6 -18.8 28.8 12.6 96 97 A T H <> S+ 0 0 64 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.922 115.2 50.5 -61.9 -43.0 -17.8 26.7 15.6 97 98 A H H X S+ 0 0 8 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.917 105.8 58.7 -59.2 -45.2 -15.8 24.4 13.4 98 99 A T H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.2 38.6 -52.2 -52.7 -14.0 27.4 11.9 99 100 A R H X S+ 0 0 56 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.888 115.5 53.1 -71.0 -37.0 -12.6 28.7 15.1 100 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.962 114.0 41.9 -60.5 -51.8 -11.8 25.3 16.5 101 102 A R H X S+ 0 0 60 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.884 114.2 53.4 -63.4 -38.2 -9.9 24.3 13.4 102 103 A K H X S+ 0 0 77 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.953 110.5 46.1 -60.4 -51.5 -8.2 27.8 13.3 103 104 A L H < S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 3,-0.5 0.918 116.0 44.5 -58.5 -48.2 -7.0 27.6 16.9 104 105 A V H >X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 3,-1.8 0.911 107.0 58.7 -65.7 -42.9 -5.6 24.1 16.6 105 106 A S H 3< S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.758 93.9 68.8 -57.4 -27.9 -4.0 24.7 13.2 106 107 A Q T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.806 118.3 19.4 -61.7 -30.1 -2.0 27.5 14.9 107 108 A E T <4 S+ 0 0 53 -3,-1.8 2,-2.0 -4,-0.5 -2,-0.2 0.757 111.7 69.8-109.4 -41.3 -0.1 24.8 16.8 108 109 A F S < S+ 0 0 25 -4,-3.2 2,-0.2 4,-0.1 -1,-0.2 -0.596 79.1 156.8 -81.6 82.6 -0.6 21.5 14.9 109 110 A T > - 0 0 48 -2,-2.0 4,-1.6 -3,-0.1 5,-0.1 -0.568 60.4-113.5-108.4 170.6 1.6 22.6 12.1 110 111 A V H > S+ 0 0 89 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.837 117.1 58.6 -70.0 -32.0 3.7 21.1 9.3 111 112 A R H > S+ 0 0 218 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.955 106.3 47.5 -62.0 -46.8 6.8 22.5 11.0 112 113 A R H 4 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.862 114.2 47.2 -62.5 -37.0 6.0 20.6 14.2 113 114 A V H >< S+ 0 0 6 -4,-1.6 3,-1.4 2,-0.2 4,-0.5 0.903 111.4 49.9 -70.9 -43.5 5.3 17.4 12.3 114 115 A E H >< S+ 0 0 86 -4,-2.9 3,-1.3 1,-0.3 -2,-0.2 0.870 103.8 60.0 -63.3 -35.0 8.5 17.7 10.2 115 116 A A T 3< S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.3 4,-0.2 0.576 100.8 58.0 -68.5 -10.1 10.4 18.2 13.5 116 117 A M T <> S+ 0 0 22 -3,-1.4 4,-2.8 -4,-0.2 3,-0.3 0.573 79.0 93.2 -93.6 -15.9 9.2 14.8 14.5 117 118 A R H <> S+ 0 0 67 -3,-1.3 4,-2.8 -4,-0.5 5,-0.3 0.904 84.0 47.8 -47.5 -55.6 10.7 12.9 11.5 118 119 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.903 114.5 49.0 -58.3 -33.4 14.0 11.9 13.1 119 120 A R H > S+ 0 0 75 -3,-0.3 4,-2.9 -4,-0.2 5,-0.2 0.953 110.8 48.8 -67.9 -46.5 12.0 10.7 16.1 120 121 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.910 113.2 47.9 -59.1 -43.1 9.6 8.7 14.0 121 122 A E H X S+ 0 0 78 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.902 112.2 50.4 -65.0 -36.7 12.5 7.2 12.1 122 123 A Q H X S+ 0 0 95 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.903 110.8 47.4 -67.8 -44.1 14.2 6.4 15.5 123 124 A I H X S+ 0 0 4 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.875 110.1 53.9 -64.3 -39.8 11.2 4.7 17.0 124 125 A T H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.927 108.4 49.5 -59.9 -48.2 10.7 2.6 13.8 125 126 A A H X S+ 0 0 37 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.930 110.7 50.1 -56.9 -49.3 14.3 1.4 13.9 126 127 A E H X S+ 0 0 79 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.927 109.4 49.1 -58.3 -49.8 13.9 0.4 17.6 127 128 A L H X S+ 0 0 13 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.908 113.0 48.5 -58.6 -41.4 10.7 -1.6 17.1 128 129 A L H X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.822 105.6 59.2 -68.5 -28.6 12.3 -3.4 14.2 129 130 A D H >< S+ 0 0 105 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.920 105.6 50.1 -64.1 -41.9 15.4 -4.1 16.3 130 131 A E H 3< S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.668 96.6 65.2 -72.9 -21.8 13.2 -6.0 18.8 131 132 A V H 3< S- 0 0 11 -4,-0.9 3,-0.3 -3,-0.3 2,-0.3 0.708 96.4-140.4 -76.7 -17.3 11.3 -8.3 16.5 132 133 A G << - 0 0 31 -3,-0.7 -1,-0.3 -4,-0.6 3,-0.1 -0.707 19.4 -87.3 97.4-150.9 14.5 -10.1 15.5 133 134 A D S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.121 95.1 51.1-153.0 23.6 15.4 -11.4 12.1 134 135 A S S S+ 0 0 72 -3,-0.3 -1,-0.2 267,-0.1 2,-0.1 -0.983 83.8 17.8-162.7 150.1 13.9 -14.8 11.8 135 136 A G S S- 0 0 26 -2,-0.3 266,-2.3 268,-0.2 2,-0.3 -0.346 89.7 -40.1 88.3-168.3 10.7 -16.7 12.3 136 137 A V E +F 400 0B 76 264,-0.2 2,-0.3 265,-0.1 264,-0.2 -0.793 55.2 169.7-100.7 141.7 7.1 -15.6 12.5 137 138 A V E -F 399 0B 17 262,-1.7 262,-2.2 -2,-0.3 2,-1.1 -0.942 43.0-107.6-144.4 158.8 6.0 -12.4 14.4 138 139 A D E > -F 398 0B 38 -2,-0.3 4,-3.1 260,-0.2 5,-0.3 -0.826 30.6-166.1 -90.7 100.3 2.7 -10.5 14.7 139 140 A I H >>S+ 0 0 1 258,-2.0 5,-2.8 -2,-1.1 4,-0.9 0.698 84.8 54.2 -63.7 -18.6 3.7 -7.4 12.7 140 141 A V H 4>S+ 0 0 8 257,-0.3 5,-3.0 3,-0.2 -1,-0.2 0.966 115.3 35.7 -77.4 -55.2 0.6 -5.6 14.0 141 142 A D H 45S+ 0 0 101 1,-0.2 -2,-0.2 4,-0.2 -1,-0.1 0.901 126.4 41.3 -63.0 -42.1 1.3 -6.1 17.7 142 143 A R H <5S- 0 0 84 -4,-3.1 -1,-0.2 3,-0.1 -3,-0.2 0.660 138.0 -8.5 -83.6 -15.8 5.1 -5.8 17.2 143 144 A F T X5S+ 0 0 0 -4,-0.9 4,-2.0 -5,-0.3 -3,-0.2 0.537 120.9 54.5-144.3 -66.3 5.1 -2.9 14.8 144 145 A A T 4 S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.871 106.0 63.6 -58.8 -39.5 3.2 0.4 18.8 147 148 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.950 105.9 38.8 -52.2 -63.8 4.6 2.8 16.2 148 149 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.855 116.7 54.2 -57.8 -36.2 1.7 5.3 15.8 149 150 A I H X S+ 0 0 11 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.927 109.0 45.6 -65.7 -45.0 0.9 5.0 19.5 150 151 A K H X S+ 0 0 81 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.922 113.9 50.9 -64.6 -41.2 4.5 6.0 20.6 151 152 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 3,-0.2 0.956 112.7 43.9 -61.0 -51.1 4.5 8.9 18.1 152 153 A I H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 6,-0.2 0.855 110.4 56.1 -64.9 -34.6 1.1 10.3 19.2 153 154 A C H X>S+ 0 0 1 -4,-2.2 5,-2.3 -5,-0.2 4,-0.9 0.872 110.0 45.5 -65.6 -36.3 2.0 10.0 22.9 154 155 A E H <5S+ 0 0 67 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.880 112.5 50.6 -73.1 -38.2 5.2 12.0 22.4 155 156 A L H <5S+ 0 0 10 -4,-2.1 55,-2.8 1,-0.2 56,-0.4 0.906 119.9 37.2 -64.1 -39.2 3.3 14.6 20.3 156 157 A L H <5S- 0 0 2 -4,-2.5 -1,-0.2 53,-0.2 -2,-0.2 0.470 111.5-112.2 -94.3 -6.1 0.7 14.9 23.0 157 158 A G T <5 + 0 0 14 -4,-0.9 2,-0.7 1,-0.3 -3,-0.2 0.689 59.2 155.8 82.5 18.4 2.8 14.5 26.2 158 159 A V < - 0 0 1 -5,-2.3 -1,-0.3 -6,-0.2 4,-0.1 -0.721 31.3-147.6 -82.1 116.6 1.4 11.2 27.2 159 160 A D > - 0 0 91 -2,-0.7 4,-1.0 2,-0.2 -1,-0.0 -0.246 26.4 -91.4 -81.4 171.8 4.0 9.5 29.3 160 161 A E T >4 S+ 0 0 174 1,-0.2 2,-2.6 2,-0.2 3,-0.9 0.888 115.5 63.8 -45.6 -60.2 4.9 5.8 29.8 161 162 A A T 34 S+ 0 0 101 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 -0.438 109.5 38.5 -72.8 73.6 2.6 5.0 32.7 162 163 A A T 3> S+ 0 0 18 -2,-2.6 4,-0.8 1,-0.4 3,-0.4 0.017 91.8 96.6 177.2 -40.7 -0.6 5.7 30.7 163 164 A R T << S+ 0 0 72 -4,-1.0 2,-2.0 -3,-0.9 -1,-0.4 -0.078 79.7 31.8 -63.0 166.9 0.1 4.3 27.3 164 165 A G T >> S+ 0 0 48 1,-0.2 4,-1.1 -3,-0.1 3,-0.7 -0.275 102.4 78.8 80.1 -54.2 -1.1 0.8 26.3 165 166 A A H >> S+ 0 0 43 -2,-2.0 3,-1.4 -3,-0.4 4,-1.1 0.964 93.5 47.8 -49.5 -61.1 -4.1 1.1 28.6 166 167 A F H 3X S+ 0 0 1 -4,-0.8 4,-2.8 1,-0.3 -1,-0.3 0.726 98.1 74.9 -55.0 -21.2 -6.0 3.2 26.0 167 168 A G H <> S+ 0 0 6 -3,-0.7 4,-1.4 1,-0.2 -1,-0.3 0.954 98.9 42.1 -57.3 -48.6 -5.0 0.7 23.4 168 169 A R H X S+ 0 0 61 -4,-1.4 3,-0.6 -5,-0.2 4,-0.6 0.953 106.1 47.1 -57.5 -49.1 -10.3 -1.6 20.3 172 173 A E H >< S+ 0 0 46 -4,-1.3 3,-1.0 -3,-0.5 -1,-0.2 0.884 109.7 53.3 -58.9 -42.7 -13.7 -1.8 21.9 173 174 A I H 3< S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 97.5 67.5 -65.4 -26.3 -14.8 1.6 20.5 174 175 A L H << S+ 0 0 13 -4,-1.6 217,-0.4 -3,-0.6 216,-0.4 0.739 95.1 62.4 -68.5 -24.2 -13.8 0.5 16.9 175 176 A V << - 0 0 54 -3,-1.0 2,-0.6 -4,-0.6 213,-0.1 -0.829 66.9-153.8-107.2 143.2 -16.6 -2.1 16.7 176 177 A M + 0 0 23 211,-0.4 -142,-0.1 -2,-0.4 5,-0.1 -0.770 31.7 154.5-116.3 81.1 -20.3 -1.3 16.9 177 178 A D > - 0 0 51 -2,-0.6 3,-1.5 1,-0.1 7,-0.2 -0.947 37.2-149.7-111.5 110.9 -21.9 -4.6 18.1 178 179 A P G > S+ 0 0 63 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.771 96.4 63.8 -48.8 -31.8 -25.2 -4.0 19.9 179 180 A E G 3 S+ 0 0 168 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.903 109.0 39.1 -61.4 -41.6 -24.5 -7.0 22.1 180 181 A R G <> S+ 0 0 103 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.037 79.1 123.2 -99.0 28.3 -21.5 -5.2 23.6 181 182 A A H <> S+ 0 0 24 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.857 75.5 46.2 -57.6 -40.3 -23.1 -1.8 23.8 182 183 A E H > S+ 0 0 139 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.892 111.9 50.1 -73.2 -36.8 -22.5 -1.4 27.5 183 184 A Q H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 111.5 50.6 -64.9 -38.8 -18.9 -2.6 27.4 184 185 A R H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.954 111.0 47.3 -62.8 -48.1 -18.4 -0.1 24.5 185 186 A G H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.831 111.4 53.4 -62.7 -30.4 -19.9 2.7 26.6 186 187 A Q H X S+ 0 0 116 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.928 107.4 48.3 -68.9 -48.9 -17.6 1.5 29.5 187 188 A A H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.901 108.6 57.0 -59.4 -38.7 -14.4 1.8 27.5 188 189 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.891 104.9 49.5 -59.5 -44.4 -15.5 5.2 26.3 189 190 A R H X S+ 0 0 91 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.837 107.3 57.0 -64.9 -34.2 -15.8 6.5 29.9 190 191 A E H X S+ 0 0 72 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.942 107.9 45.3 -62.1 -48.7 -12.3 5.1 30.6 191 192 A V H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.922 111.8 53.5 -64.0 -38.9 -10.8 7.1 27.8 192 193 A V H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 111.2 45.6 -61.4 -41.4 -12.7 10.2 29.0 193 194 A N H X S+ 0 0 74 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.933 111.6 51.9 -65.9 -47.9 -11.3 9.8 32.5 194 195 A F H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 111.4 47.5 -54.6 -45.6 -7.8 9.2 31.2 195 196 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.897 106.3 56.6 -65.8 -41.1 -8.0 12.4 29.1 196 197 A L H X S+ 0 0 62 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.907 111.6 44.4 -58.4 -39.6 -9.4 14.5 32.0 197 198 A D H X S+ 0 0 103 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.923 111.6 52.6 -68.5 -47.9 -6.3 13.5 34.0 198 199 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.949 111.7 45.9 -52.6 -52.5 -3.9 14.1 31.2 199 200 A V H X S+ 0 0 5 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.893 113.2 49.8 -60.8 -42.2 -5.3 17.6 30.6 200 201 A E H X S+ 0 0 137 -4,-2.0 4,-1.3 -5,-0.3 3,-0.5 0.949 111.6 46.1 -64.8 -48.0 -5.2 18.4 34.3 201 202 A R H X S+ 0 0 108 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.823 111.4 55.3 -64.5 -27.6 -1.6 17.2 34.9 202 203 A R H < S+ 0 0 12 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.820 103.8 52.7 -74.7 -29.0 -0.7 19.1 31.7 203 204 A R H < S+ 0 0 122 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.764 115.8 42.0 -74.5 -27.2 -2.2 22.4 33.1 204 205 A T H < S+ 0 0 117 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 125.5 30.9 -85.5 -45.5 -0.0 22.0 36.2 205 206 A E S < S- 0 0 134 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.703 82.3-165.2-119.8 80.8 3.2 20.8 34.5 206 207 A P + 0 0 84 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.274 13.3 168.7 -65.8 147.1 3.4 22.5 31.1 207 208 A G - 0 0 39 2,-0.1 -5,-0.0 -5,-0.1 0, 0.0 -0.519 50.6 -81.9-136.6-156.9 5.9 21.2 28.5 208 209 A D S S+ 0 0 158 -2,-0.2 5,-0.1 4,-0.1 -51,-0.0 0.550 86.0 116.0 -93.1 -12.3 6.8 21.6 24.8 209 210 A D S > S- 0 0 20 1,-0.1 4,-1.9 3,-0.1 -53,-0.2 0.030 80.8-106.7 -54.3 165.1 4.1 19.1 23.7 210 211 A L H > S+ 0 0 0 -55,-2.8 4,-2.5 1,-0.2 5,-0.2 0.862 117.0 56.9 -64.1 -37.1 1.1 20.0 21.5 211 212 A L H > S+ 0 0 1 -56,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.913 106.6 48.4 -63.2 -42.2 -1.3 19.7 24.4 212 213 A S H >> S+ 0 0 11 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.943 112.3 50.1 -62.0 -46.4 0.5 22.3 26.5 213 214 A A H >X S+ 0 0 15 -4,-1.9 4,-1.4 1,-0.3 3,-0.5 0.885 108.0 51.6 -59.9 -42.3 0.6 24.6 23.4 214 215 A L H 3< S+ 0 0 2 -4,-2.5 11,-0.3 1,-0.2 -1,-0.3 0.718 103.1 62.6 -68.3 -20.2 -3.1 24.2 22.8 215 216 A I H << S+ 0 0 35 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.835 114.6 29.2 -74.0 -33.9 -3.7 25.1 26.5 216 217 A S H << S+ 0 0 76 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.526 91.6 121.1-103.4 -6.4 -2.3 28.6 26.1 217 218 A V < + 0 0 7 -4,-1.4 8,-0.5 -5,-0.2 2,-0.3 -0.280 34.5 165.2 -61.8 137.0 -3.1 29.2 22.5 218 219 A Q E -H 224 0C 117 6,-0.1 2,-0.4 -115,-0.1 6,-0.2 -0.987 25.2-150.7-154.2 147.8 -5.3 32.2 21.8 219 220 A D E > -H 223 0C 25 4,-2.5 4,-2.9 -2,-0.3 3,-0.3 -0.989 23.6-127.8-125.6 130.9 -6.3 34.4 18.8 220 221 A D T 4 S+ 0 0 167 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.778 109.7 28.3 -41.6 -40.9 -7.2 38.1 19.0 221 222 A D T 4 S+ 0 0 143 2,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.713 127.8 39.5 -98.5 -25.0 -10.5 37.5 17.2 222 223 A D T 4 S- 0 0 57 -3,-0.3 -2,-0.2 1,-0.3 2,-0.2 0.509 89.1-151.3-104.4 -6.7 -11.4 33.9 18.1 223 224 A G E < -H 219 0C 36 -4,-2.9 -4,-2.5 2,-0.0 -1,-0.3 -0.465 35.9 -57.9 72.0-140.3 -10.4 33.8 21.8 224 225 A R E -H 218 0C 117 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.1 -0.830 54.1 -77.0-138.1 173.4 -9.2 30.5 23.1 225 226 A L - 0 0 16 -8,-0.5 2,-0.1 -11,-0.3 -2,-0.0 -0.514 44.7-133.8 -72.6 134.1 -10.3 26.9 23.7 226 227 A S > - 0 0 54 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.344 31.3 -97.8 -79.2 171.4 -12.7 26.3 26.6 227 228 A A H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 125.1 46.5 -56.7 -45.4 -12.0 23.5 29.0 228 229 A D H > S+ 0 0 89 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.937 114.2 46.1 -64.4 -49.5 -14.5 21.2 27.2 229 230 A E H > S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.939 114.1 49.1 -58.5 -46.1 -13.2 22.0 23.8 230 231 A L H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.939 113.8 46.9 -59.7 -45.0 -9.7 21.5 25.0 231 232 A T H X S+ 0 0 11 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.905 115.0 44.8 -65.4 -41.7 -10.6 18.2 26.6 232 233 A S H X S+ 0 0 0 -4,-3.0 4,-2.4 -145,-0.3 5,-0.2 0.912 113.2 49.4 -71.8 -41.2 -12.6 16.9 23.6 233 234 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 -146,-0.4 5,-0.2 0.928 110.6 51.5 -62.9 -44.3 -9.9 18.0 21.0 234 235 A A H X S+ 0 0 3 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.930 110.1 50.1 -56.6 -47.5 -7.2 16.3 23.1 235 236 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.905 114.0 42.9 -58.3 -49.0 -9.3 13.1 23.2 236 237 A V H X S+ 0 0 39 -4,-2.4 4,-2.7 2,-0.2 5,-0.5 0.856 111.1 54.9 -70.3 -34.1 -9.9 13.0 19.5 237 238 A L H X S+ 0 0 25 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.925 111.0 46.8 -64.9 -39.6 -6.3 13.9 18.7 238 239 A L H X S+ 0 0 2 -4,-2.3 4,-0.5 -5,-0.2 5,-0.2 0.982 121.0 34.9 -63.6 -58.5 -5.1 11.0 20.8 239 240 A L H >X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 3,-1.0 0.925 124.2 40.3 -63.1 -52.6 -7.5 8.4 19.3 240 241 A A H 3X S+ 0 0 63 -4,-2.7 4,-0.5 1,-0.2 5,-0.3 0.762 106.2 71.3 -70.7 -21.1 -7.7 9.6 15.7 241 242 A G H 3< S+ 0 0 16 -4,-1.2 -1,-0.2 -5,-0.5 -2,-0.2 0.663 115.9 13.3 -68.6 -20.8 -3.9 10.2 15.9 242 243 A F H S+ 0 0 9 -5,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.856 104.2 54.5 -70.7 -33.6 -2.3 5.0 11.0 246 247 A V H X S+ 0 0 8 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.945 109.8 47.9 -63.3 -45.8 -2.2 1.5 12.5 247 248 A S H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 5,-0.5 0.929 110.5 51.7 -60.7 -44.9 -4.7 0.5 9.7 248 249 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.931 113.9 42.4 -56.7 -51.0 -2.6 2.2 7.0 249 250 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.952 119.8 42.6 -62.7 -50.4 0.7 0.4 8.1 250 251 A G H X S+ 0 0 2 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.860 119.0 42.1 -65.5 -42.5 -1.0 -3.0 8.6 251 252 A I H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.923 114.3 54.0 -70.2 -43.0 -3.2 -2.9 5.5 252 253 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.5 5,-0.2 0.867 108.4 48.7 -57.8 -39.8 -0.2 -1.5 3.5 253 254 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.922 111.2 49.9 -67.3 -42.8 2.0 -4.4 4.6 254 255 A Y H X S+ 0 0 33 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.876 111.9 49.3 -62.4 -40.5 -0.7 -6.9 3.6 255 256 A L H X S+ 0 0 2 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.926 112.4 43.7 -68.1 -47.4 -1.1 -5.3 0.2 256 257 A L H < S+ 0 0 1 -4,-2.1 3,-0.5 2,-0.2 7,-0.5 0.905 114.1 52.4 -65.1 -39.8 2.6 -5.1 -0.8 257 258 A L H < S+ 0 0 23 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.934 114.1 42.8 -60.7 -44.4 3.1 -8.6 0.5 258 259 A T H < S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.554 112.4 55.6 -80.5 -9.1 0.2 -9.9 -1.6 259 260 A H >X + 0 0 45 -4,-0.9 4,-2.4 -3,-0.5 3,-0.9 -0.608 62.2 173.1-125.8 74.2 1.2 -7.9 -4.7 260 261 A P H 3> S+ 0 0 82 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.842 80.0 55.9 -45.0 -49.4 4.9 -8.9 -5.4 261 262 A D H 3> S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.893 111.4 43.1 -54.8 -42.4 4.9 -6.9 -8.6 262 263 A Q H <> S+ 0 0 17 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.887 113.1 51.6 -73.6 -39.2 3.9 -3.8 -6.8 263 264 A L H X S+ 0 0 16 -4,-2.4 4,-2.5 -7,-0.5 -2,-0.2 0.911 108.3 51.4 -63.5 -43.3 6.3 -4.4 -3.9 264 265 A A H X S+ 0 0 55 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.908 106.8 55.4 -59.6 -41.7 9.2 -4.9 -6.3 265 266 A L H X S+ 0 0 71 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.892 109.8 45.6 -57.2 -44.5 8.3 -1.6 -7.9 266 267 A V H < S+ 0 0 14 -4,-1.7 6,-0.3 2,-0.2 -1,-0.2 0.894 111.9 51.3 -67.7 -42.7 8.6 0.2 -4.6 267 268 A R H < S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 113.9 44.2 -60.8 -44.6 11.9 -1.5 -3.7 268 269 A A H < S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 125.0 32.8 -68.1 -43.6 13.4 -0.5 -7.0 269 270 A D >< - 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