==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-01 1JIP . COMPND 2 MOLECULE: CYTOCHROME P450 107A1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR J.R.CUPP-VICKERY,C.GARCIA,A.HOFACRE,K.MCGEE-ESTRADA . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 28 6.9 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 . 159 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 T 0 0 143 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 -38.0 -3.3 -1.4 2 3 A T - 0 0 147 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.437 360.0-151.7 -64.5 124.1 -35.2 -5.2 0.4 3 4 A V - 0 0 68 -2,-0.2 28,-0.2 28,-0.0 -1,-0.1 -0.878 16.5-122.7-102.7 122.4 -33.2 -2.9 2.6 4 5 A P - 0 0 30 0, 0.0 28,-2.5 0, 0.0 2,-0.6 -0.174 13.7-140.5 -60.1 154.2 -29.6 -3.8 3.3 5 6 A D B > -a 32 0A 65 26,-0.2 3,-2.4 1,-0.1 6,-0.2 -0.938 1.2-154.4-120.4 105.3 -28.4 -4.3 6.9 6 7 A L T 3 S+ 0 0 2 26,-2.4 27,-0.1 -2,-0.6 -1,-0.1 0.586 93.4 63.6 -56.5 -8.3 -24.9 -2.9 7.4 7 8 A E T 3 S+ 0 0 65 25,-0.3 -1,-0.3 3,-0.0 26,-0.1 0.725 82.7 97.8 -87.8 -23.3 -24.4 -5.4 10.2 8 9 A S S X S- 0 0 41 -3,-2.4 3,-1.8 1,-0.1 0, 0.0 -0.155 91.4-106.0 -63.3 160.7 -24.7 -8.5 7.9 9 10 A D G >> S+ 0 0 96 1,-0.3 3,-1.5 2,-0.2 4,-1.5 0.582 110.4 80.9 -64.5 -11.2 -21.6 -10.3 6.6 10 11 A S G 34 S+ 0 0 63 1,-0.3 8,-0.3 -5,-0.2 -1,-0.3 0.756 95.4 46.6 -67.1 -22.7 -22.2 -8.8 3.2 11 12 A F G <4 S+ 0 0 3 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.153 119.6 37.8-104.8 18.0 -20.5 -5.6 4.5 12 13 A H T <4 S+ 0 0 20 -3,-1.5 2,-0.5 1,-0.2 373,-0.2 0.388 105.8 64.4-143.4 -6.5 -17.6 -7.4 6.2 13 14 A V S < S- 0 0 86 -4,-1.5 -1,-0.2 1,-0.1 5,-0.1 -0.958 131.3 -27.0-127.5 111.5 -16.7 -10.2 3.8 14 15 A D S >> S+ 0 0 120 -2,-0.5 3,-1.7 1,-0.1 4,-0.6 0.901 87.6 169.7 49.4 40.2 -15.4 -9.2 0.3 15 16 A W H 3> + 0 0 12 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.630 58.3 71.1 -59.5 -21.9 -17.5 -6.1 1.0 16 17 A Y H 3> S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.706 95.3 56.2 -71.1 -16.2 -16.3 -4.1 -1.9 17 18 A R H <> S+ 0 0 45 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.848 106.6 49.8 -79.3 -35.7 -18.3 -6.4 -4.1 18 19 A T H X S+ 0 0 32 -4,-0.6 4,-2.0 -8,-0.3 5,-0.2 0.929 110.1 49.6 -66.0 -47.0 -21.4 -5.6 -2.1 19 20 A Y H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 109.4 52.8 -59.2 -40.8 -20.7 -1.8 -2.5 20 21 A A H X S+ 0 0 20 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.853 108.5 50.2 -63.8 -35.5 -20.3 -2.3 -6.2 21 22 A E H X S+ 0 0 88 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.856 113.8 44.0 -72.5 -34.8 -23.6 -4.1 -6.5 22 23 A L H X S+ 0 0 32 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.860 112.2 53.4 -76.3 -36.7 -25.4 -1.3 -4.6 23 24 A R H < S+ 0 0 23 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.927 106.0 51.4 -64.1 -46.3 -23.7 1.4 -6.5 24 25 A E H < S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 117.5 41.0 -60.3 -34.4 -24.6 0.1 -9.9 25 26 A T H < S- 0 0 113 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.952 140.6 -18.0 -77.6 -54.1 -28.3 -0.1 -8.7 26 27 A A < - 0 0 23 -4,-3.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.796 47.1-152.1-160.8 112.9 -28.4 3.2 -6.9 27 28 A P S S+ 0 0 38 0, 0.0 15,-2.2 0, 0.0 16,-1.0 0.571 96.9 43.8 -60.4 -9.9 -25.4 5.4 -5.6 28 29 A V E S+ B 0 41A 3 13,-0.2 13,-0.2 -6,-0.2 272,-0.0 -0.913 79.0 152.1-139.9 108.8 -27.8 6.6 -2.9 29 30 A T E - B 0 40A 22 11,-2.0 11,-3.1 -2,-0.4 2,-0.2 -0.946 44.4-101.1-139.9 160.3 -30.1 4.1 -1.1 30 31 A P E + B 0 39A 62 0, 0.0 2,-0.3 0, 0.0 9,-0.3 -0.513 44.3 173.5 -77.9 144.3 -31.9 3.5 2.2 31 32 A V E - B 0 38A 1 7,-3.2 7,-2.3 -2,-0.2 2,-0.4 -0.908 27.9-123.4-144.0 172.3 -30.3 1.0 4.7 32 33 A R E +aB 5 37A 91 -28,-2.5 -26,-2.4 -2,-0.3 -25,-0.3 -0.930 31.9 160.9-119.6 143.7 -30.6 -0.4 8.2 33 34 A F E > - B 0 36A 16 3,-1.7 3,-0.8 -2,-0.4 -2,-0.1 -0.833 67.5 -8.1-166.6 123.3 -27.9 -0.2 10.8 34 35 A L T 3 S- 0 0 27 -2,-0.3 3,-0.1 1,-0.2 143,-0.0 0.813 128.0 -55.1 58.0 32.3 -28.0 -0.6 14.6 35 36 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.805 116.5 106.2 73.2 29.2 -31.8 -0.6 14.5 36 37 A Q E < -B 33 0A 64 -3,-0.8 -3,-1.7 274,-0.0 2,-0.3 -0.991 68.6-118.9-141.0 148.7 -32.0 2.7 12.6 37 38 A D E +B 32 0A 114 -2,-0.3 273,-0.4 -5,-0.2 2,-0.3 -0.623 44.0 155.5 -84.5 144.0 -32.9 3.8 9.1 38 39 A A E -B 31 0A 6 -7,-2.3 -7,-3.2 -2,-0.3 2,-0.5 -0.953 39.2-108.9-157.5 174.5 -30.3 5.6 7.1 39 40 A W E -Bc 30 311A 48 271,-2.1 273,-3.4 -2,-0.3 2,-0.5 -0.963 22.8-154.1-118.8 129.2 -29.0 6.5 3.7 40 41 A L E -Bc 29 312A 1 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.6 -0.888 2.2-159.7-106.2 126.1 -25.8 5.1 2.2 41 42 A V E +Bc 28 313A 0 271,-2.3 273,-2.5 -2,-0.5 277,-0.2 -0.917 23.1 158.5-106.0 115.9 -23.9 7.0 -0.5 42 43 A T + 0 0 0 -15,-2.2 2,-0.3 -2,-0.6 278,-0.2 0.501 43.2 94.0-114.3 -9.4 -21.6 4.8 -2.5 43 44 A G S > S- 0 0 0 -16,-1.0 4,-2.4 1,-0.1 275,-0.2 -0.627 71.5-132.3 -87.5 146.8 -21.0 6.8 -5.7 44 45 A Y H > S+ 0 0 9 -2,-0.3 4,-2.8 274,-0.2 5,-0.2 0.959 105.3 44.1 -61.0 -55.5 -18.0 9.0 -6.1 45 46 A D H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 116.2 49.1 -57.7 -40.1 -19.8 12.1 -7.4 46 47 A E H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.896 111.7 48.0 -67.0 -42.2 -22.6 11.7 -4.8 47 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.931 112.7 48.4 -64.4 -45.0 -20.2 11.3 -2.0 48 49 A K H X S+ 0 0 76 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.914 113.4 48.4 -61.5 -42.5 -18.2 14.4 -3.1 49 50 A A H >X S+ 0 0 47 -4,-2.2 4,-1.1 -5,-0.2 3,-0.6 0.937 110.5 50.3 -63.4 -48.2 -21.5 16.3 -3.4 50 51 A A H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 6,-0.2 0.922 110.2 49.2 -57.8 -46.3 -22.7 15.2 0.1 51 52 A L H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 296,-0.2 0.708 111.7 50.7 -67.5 -20.3 -19.5 16.2 1.8 52 53 A S H << S+ 0 0 64 -4,-1.0 2,-0.9 -3,-0.6 -1,-0.2 0.615 90.5 88.6 -92.1 -14.2 -19.6 19.6 0.1 53 54 A D X< - 0 0 33 -4,-1.1 3,-2.2 -3,-0.8 -1,-0.1 -0.751 59.9-162.7 -91.6 105.7 -23.2 20.4 1.1 54 55 A L T 3 S+ 0 0 100 -2,-0.9 -1,-0.1 1,-0.3 4,-0.1 0.462 82.1 80.3 -67.3 0.6 -23.3 22.1 4.5 55 56 A R T 3 S+ 0 0 98 1,-0.1 240,-2.1 -5,-0.1 2,-0.9 0.691 82.0 76.0 -75.8 -16.1 -27.0 21.4 4.8 56 57 A L E < S-D 294 0A 4 -3,-2.2 238,-0.2 -6,-0.2 -1,-0.1 -0.841 86.8-150.1 -96.4 102.2 -25.6 18.0 5.9 57 58 A S E -D 293 0A 4 236,-2.8 236,-2.4 -2,-0.9 -2,-0.1 -0.300 24.9-161.4 -76.5 155.8 -24.4 18.7 9.4 58 59 A S + 0 0 17 234,-0.2 -1,-0.1 -4,-0.1 233,-0.1 0.329 63.5 103.0-113.1 0.6 -21.5 17.1 11.4 59 60 A D > - 0 0 20 1,-0.1 3,-0.7 234,-0.1 33,-0.1 -0.771 43.4-178.0 -96.6 104.2 -22.7 18.2 14.8 60 61 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.602 78.3 67.4 -72.5 -12.7 -24.4 15.4 16.9 61 62 A K T 3 S+ 0 0 51 30,-0.3 31,-0.1 25,-0.2 8,-0.1 0.795 72.7 106.6 -79.4 -30.9 -25.1 17.8 19.7 62 63 A K < - 0 0 85 -3,-0.7 2,-0.4 1,-0.1 7,-0.2 -0.143 61.8-140.6 -53.6 142.8 -27.6 20.1 17.9 63 64 A K - 0 0 144 5,-0.1 5,-0.1 3,-0.0 -1,-0.1 -0.898 14.8-168.6-110.0 135.3 -31.3 19.7 19.0 64 65 A Y > - 0 0 42 3,-0.5 3,-1.9 -2,-0.4 5,-0.1 -0.962 39.8 -86.0-123.6 141.4 -34.2 19.7 16.5 65 66 A P T 3 S- 0 0 114 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.188 105.7 -11.2 -47.3 118.7 -37.9 19.9 17.5 66 67 A G T 3 S+ 0 0 93 1,-0.2 2,-0.4 0, 0.0 -3,-0.0 0.668 105.9 115.4 64.0 22.7 -39.3 16.5 18.2 67 68 A V < - 0 0 29 -3,-1.9 2,-0.7 2,-0.0 -3,-0.5 -0.968 52.8-149.1-127.9 142.1 -36.4 14.4 16.9 68 69 A E - 0 0 167 -2,-0.4 2,-0.6 -5,-0.1 -5,-0.1 -0.838 14.7-157.2-110.1 95.4 -34.0 12.0 18.6 69 70 A V + 0 0 22 -2,-0.7 2,-0.4 -7,-0.2 -2,-0.0 -0.599 17.7 171.6 -75.7 115.6 -30.6 12.0 16.9 70 71 A E - 0 0 93 -2,-0.6 5,-0.1 5,-0.0 -2,-0.0 -0.840 14.1-163.2-128.5 93.2 -28.7 8.8 17.7 71 72 A F > - 0 0 19 -2,-0.4 3,-1.7 1,-0.1 222,-0.0 -0.533 24.0-124.1 -81.8 142.0 -25.5 8.4 15.6 72 73 A P G > S+ 0 0 15 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.872 105.8 60.5 -45.9 -54.4 -23.6 5.1 15.1 73 74 A A G 3 S+ 0 0 22 1,-0.3 102,-0.0 103,-0.0 -2,-0.0 0.639 105.8 49.4 -54.2 -18.1 -20.2 6.3 16.4 74 75 A Y G X S+ 0 0 38 -3,-1.7 3,-1.9 3,-0.1 -1,-0.3 0.017 74.8 152.3-113.9 27.7 -21.8 7.1 19.8 75 76 A L T < S+ 0 0 28 -3,-2.0 102,-0.1 1,-0.3 -41,-0.0 -0.385 75.1 6.0 -58.8 126.2 -23.6 3.8 20.4 76 77 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.3 -2,-0.1 112,-0.1 0.516 93.1 138.2 79.0 6.4 -23.8 3.3 24.1 77 78 A F < - 0 0 19 -3,-1.9 -1,-0.2 111,-0.1 108,-0.1 -0.726 53.2-128.1 -89.4 127.8 -22.4 6.7 25.2 78 79 A P > - 0 0 50 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.348 34.9-104.4 -65.9 158.2 -24.1 8.5 28.1 79 80 A E H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.824 118.5 52.1 -56.7 -34.0 -25.0 12.1 27.1 80 81 A D H > S+ 0 0 81 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.884 110.3 45.9 -72.7 -37.6 -22.2 13.6 29.1 81 82 A V H > S+ 0 0 1 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.816 108.9 58.9 -72.6 -28.4 -19.4 11.4 27.6 82 83 A R H >X S+ 0 0 33 -4,-2.0 4,-1.7 1,-0.2 3,-0.6 0.935 102.9 51.7 -62.8 -46.2 -20.9 12.1 24.2 83 84 A N H 3< S+ 0 0 53 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.4 52.2 -60.0 -35.6 -20.4 15.8 24.6 84 85 A Y H 3< S+ 0 0 56 -4,-1.2 3,-0.3 1,-0.2 -1,-0.3 0.766 113.6 44.8 -71.4 -24.4 -16.8 15.3 25.5 85 86 A F H << S+ 0 0 11 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.697 117.7 46.1 -88.0 -22.4 -16.4 13.2 22.3 86 87 A A S < S+ 0 0 0 -4,-1.7 -25,-0.2 1,-0.1 -1,-0.2 -0.104 81.7 88.6-117.1 36.4 -18.3 15.8 20.2 87 88 A T S S+ 0 0 29 -3,-0.3 146,-0.3 141,-0.2 2,-0.3 -0.439 73.6 85.0-127.3 57.3 -17.0 19.3 21.1 88 89 A N S > S- 0 0 5 144,-0.2 3,-1.1 -3,-0.1 13,-0.1 -0.865 94.9 -79.0-144.2 177.5 -14.2 19.5 18.5 89 90 A M G > S+ 0 0 19 1,-0.3 3,-1.4 -2,-0.3 12,-0.1 0.897 123.8 52.9 -50.8 -48.7 -13.6 20.4 14.9 90 91 A G G 3 S+ 0 0 39 1,-0.3 -1,-0.3 7,-0.0 -4,-0.1 0.772 111.8 46.7 -61.0 -26.3 -14.9 17.1 13.4 91 92 A T G < S+ 0 0 11 -3,-1.1 -30,-0.3 -32,-0.1 2,-0.3 -0.119 103.3 71.6-109.6 35.1 -18.2 17.4 15.4 92 93 A S < - 0 0 2 -3,-1.4 -5,-0.1 -33,-0.1 -34,-0.0 -0.962 63.1-137.4-145.3 161.5 -19.1 21.0 14.7 93 94 A D >> - 0 0 15 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 -0.740 48.3 -44.5-114.4 164.5 -20.4 23.2 11.9 94 95 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.355 117.9 27.6 -62.0 151.7 -19.4 26.7 10.8 95 96 A P T 3> S+ 0 0 105 0, 0.0 4,-1.6 0, 0.0 5,-0.2 -0.995 130.3 42.1 -84.2 -10.5 -18.9 29.2 12.4 96 97 A T H <> S+ 0 0 65 -3,-0.8 4,-2.1 1,-0.2 5,-0.3 0.935 114.7 52.9 -59.7 -46.5 -17.9 27.1 15.4 97 98 A H H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.920 105.1 58.2 -54.2 -45.8 -15.9 24.7 13.2 98 99 A T H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 109.1 39.8 -53.4 -51.1 -14.0 27.7 11.7 99 100 A R H X S+ 0 0 56 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.875 113.9 53.0 -72.3 -35.6 -12.6 29.1 14.9 100 101 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.939 112.4 45.8 -62.7 -45.1 -11.7 25.7 16.5 101 102 A R H X S+ 0 0 62 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.841 112.4 51.1 -66.6 -33.6 -9.8 24.7 13.3 102 103 A K H X S+ 0 0 85 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.908 111.0 47.3 -70.1 -43.2 -8.0 28.0 13.1 103 104 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.928 116.0 43.6 -64.7 -44.8 -6.9 27.9 16.8 104 105 A V H >X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 3,-1.9 0.906 107.0 59.8 -68.0 -41.3 -5.6 24.4 16.6 105 106 A S H 3< S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.672 92.6 70.5 -60.4 -17.8 -3.9 24.9 13.2 106 107 A Q T << S+ 0 0 76 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.778 117.6 17.6 -70.7 -26.1 -1.8 27.5 14.8 107 108 A E T <4 S+ 0 0 56 -3,-1.9 2,-1.8 -4,-0.4 -2,-0.2 0.659 112.8 71.1-116.4 -29.8 0.1 24.9 16.8 108 109 A F S < S+ 0 0 26 -4,-3.0 2,-0.2 4,-0.1 -1,-0.1 -0.583 79.7 155.3 -89.6 75.2 -0.6 21.6 14.9 109 110 A T > - 0 0 45 -2,-1.8 4,-1.8 -3,-0.1 5,-0.1 -0.518 62.1-114.8-103.8 168.8 1.6 22.7 12.0 110 111 A V H > S+ 0 0 93 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.871 117.9 57.3 -66.4 -37.5 3.6 21.0 9.3 111 112 A R H > S+ 0 0 213 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.952 107.0 46.5 -58.5 -50.1 6.7 22.5 10.9 112 113 A R H 4 S+ 0 0 57 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.879 114.6 48.2 -60.5 -38.6 5.9 20.7 14.2 113 114 A V H >< S+ 0 0 7 -4,-1.8 3,-1.2 1,-0.2 4,-0.3 0.930 111.7 48.1 -67.8 -47.0 5.2 17.5 12.3 114 115 A E H >< S+ 0 0 84 -4,-3.2 3,-1.8 1,-0.3 -2,-0.2 0.850 102.7 63.5 -62.2 -34.7 8.3 17.6 10.3 115 116 A A T 3< S+ 0 0 78 -4,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.705 99.3 56.5 -63.5 -18.8 10.4 18.3 13.4 116 117 A M T <> S+ 0 0 29 -3,-1.2 4,-2.7 -4,-0.5 -1,-0.3 0.500 78.8 95.8 -89.8 -7.1 9.3 14.9 14.6 117 118 A R H <> S+ 0 0 63 -3,-1.8 4,-2.5 -4,-0.3 5,-0.2 0.927 82.5 48.9 -52.7 -53.1 10.7 13.1 11.6 118 119 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.907 114.0 48.7 -55.4 -39.0 14.1 12.1 13.2 119 120 A R H > S+ 0 0 72 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.915 109.3 50.8 -66.9 -42.8 12.2 10.8 16.2 120 121 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.887 111.9 49.3 -61.9 -37.8 9.7 8.8 14.1 121 122 A E H X S+ 0 0 81 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.915 111.0 48.6 -67.4 -42.9 12.7 7.3 12.3 122 123 A Q H X S+ 0 0 101 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.947 111.3 49.6 -62.1 -49.0 14.5 6.4 15.5 123 124 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.872 110.2 51.7 -57.2 -40.0 11.4 4.8 17.1 124 125 A T H X S+ 0 0 2 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.912 110.0 48.6 -64.6 -43.4 10.9 2.7 13.9 125 126 A A H X S+ 0 0 39 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.936 110.7 50.6 -62.8 -47.0 14.5 1.5 14.0 126 127 A E H X S+ 0 0 80 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.884 110.0 49.3 -59.5 -41.9 14.2 0.6 17.7 127 128 A L H < S+ 0 0 22 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.885 111.3 49.8 -66.4 -37.9 11.0 -1.4 17.2 128 129 A L H >X S+ 0 0 1 -4,-2.0 4,-0.7 1,-0.2 3,-0.5 0.789 105.6 56.1 -72.3 -27.5 12.5 -3.3 14.3 129 130 A D H >< S+ 0 0 92 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.926 105.0 55.8 -66.0 -42.2 15.7 -4.2 16.3 130 131 A E T 3< S+ 0 0 139 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.584 97.9 61.4 -65.0 -17.3 13.3 -5.8 18.8 131 132 A V T <4 S- 0 0 13 -3,-0.5 3,-0.2 -4,-0.5 -1,-0.2 0.756 97.6-136.2 -85.8 -25.3 11.6 -8.1 16.4 132 133 A G << - 0 0 37 -3,-0.8 -1,-0.2 -4,-0.7 3,-0.1 -0.604 17.5 -89.4 104.3-167.5 14.6 -10.1 15.4 133 134 A D S S+ 0 0 126 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.207 98.0 40.2-133.7 12.3 15.8 -11.4 12.0 134 135 A S S S+ 0 0 67 -3,-0.2 -1,-0.2 267,-0.1 2,-0.1 -0.985 85.3 30.8-160.1 150.3 14.1 -14.8 11.7 135 136 A G S S- 0 0 26 -2,-0.3 266,-2.6 268,-0.2 2,-0.4 -0.437 83.7 -48.9 100.6-174.0 10.9 -16.5 12.5 136 137 A V E +F 400 0B 82 264,-0.2 2,-0.3 -2,-0.1 264,-0.2 -0.877 52.4 167.9-107.5 133.1 7.2 -15.5 12.6 137 138 A V E -F 399 0B 20 262,-1.9 262,-2.4 -2,-0.4 2,-1.1 -0.963 44.2-109.5-139.5 155.8 5.9 -12.4 14.5 138 139 A D E > -F 398 0B 39 -2,-0.3 4,-2.3 260,-0.2 5,-0.2 -0.786 31.3-163.0 -84.7 104.1 2.6 -10.6 14.6 139 140 A I H >>S+ 0 0 1 258,-2.1 5,-2.2 -2,-1.1 4,-0.9 0.704 84.4 57.4 -64.5 -19.3 3.7 -7.4 12.8 140 141 A V H 4>S+ 0 0 7 257,-0.3 5,-2.5 3,-0.2 3,-0.3 0.959 111.2 38.9 -75.2 -51.4 0.7 -5.5 14.1 141 142 A D H 45S+ 0 0 101 1,-0.2 -2,-0.2 3,-0.1 -1,-0.1 0.899 124.2 40.2 -64.7 -41.0 1.4 -6.1 17.8 142 143 A R H <5S- 0 0 91 -4,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.569 137.1 -5.4 -88.6 -7.3 5.2 -5.7 17.4 143 144 A F T X5S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -3,-0.2 0.471 119.9 54.2-146.6 -67.0 5.3 -2.8 15.0 144 145 A A T 4 S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 104.2 63.9 -62.1 -36.9 3.4 0.6 18.9 147 148 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.1 0.961 106.7 37.6 -56.3 -59.7 4.9 3.0 16.4 148 149 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.817 115.7 56.0 -64.1 -31.6 2.0 5.5 16.1 149 150 A I H X S+ 0 0 20 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.933 108.4 45.6 -66.0 -45.7 1.2 5.2 19.8 150 151 A K H X S+ 0 0 61 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.924 114.8 50.0 -64.0 -41.5 4.7 6.2 20.9 151 152 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.942 112.1 44.4 -61.9 -50.9 4.6 9.1 18.4 152 153 A I H X S+ 0 0 7 -4,-2.7 4,-1.9 89,-0.2 -1,-0.2 0.794 111.6 54.5 -67.1 -28.5 1.2 10.5 19.5 153 154 A C H X>S+ 0 0 1 -4,-1.8 5,-3.0 -5,-0.2 4,-0.6 0.846 109.0 46.7 -74.5 -34.4 2.1 10.2 23.1 154 155 A E H <5S+ 0 0 69 -4,-1.7 -2,-0.2 3,-0.2 3,-0.2 0.863 112.9 51.2 -73.5 -33.1 5.3 12.2 22.7 155 156 A L H <5S+ 0 0 10 -4,-1.8 55,-2.6 1,-0.2 56,-0.5 0.894 119.3 34.9 -69.0 -39.8 3.4 14.8 20.8 156 157 A L H <5S- 0 0 2 -4,-1.9 -1,-0.2 54,-0.2 -2,-0.2 0.382 112.0-113.7 -96.3 1.5 0.7 15.1 23.4 157 158 A G T <5 + 0 0 20 -4,-0.6 2,-0.5 1,-0.2 -3,-0.2 0.879 58.4 158.9 68.9 38.2 2.9 14.6 26.4 158 159 A V < - 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