==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUN-06 2H7Q . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.VERRAS,A.ALIAN,P.R.MONTELLANO . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 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 . 13 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.0 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 2 0 0 2 0 3 1 1 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 10 A N 0 0 187 0, 0.0 49,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 80.3 23.5 0.4 72.5 2 11 A L - 0 0 82 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.759 360.0-128.0 -99.8 142.7 20.9 2.4 70.5 3 12 A A - 0 0 26 45,-2.9 49,-0.0 -2,-0.3 -1,-0.0 -0.630 42.0 -86.2 -87.0 145.3 20.5 2.1 66.7 4 13 A P - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.217 50.7-104.5 -52.6 131.5 20.5 5.3 64.6 5 14 A L - 0 0 54 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.378 36.5-121.2 -61.4 123.9 17.1 6.9 64.4 6 15 A P > - 0 0 28 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.377 19.7-116.4 -67.6 145.7 15.5 6.3 61.0 7 16 A P T 3 S+ 0 0 142 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.811 110.9 55.7 -49.2 -39.9 14.5 9.4 58.9 8 17 A H T 3 S+ 0 0 51 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.568 88.9 90.4 -75.6 -8.2 10.8 8.7 59.0 9 18 A V S < S- 0 0 6 -3,-1.8 5,-0.1 292,-0.1 2,-0.1 -0.804 74.6-134.9 -96.7 116.5 10.6 8.5 62.8 10 19 A P > - 0 0 55 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.370 15.3-127.3 -65.8 142.2 9.8 11.9 64.5 11 20 A E G > S+ 0 0 165 1,-0.3 3,-1.6 2,-0.2 35,-0.1 0.812 105.5 64.5 -61.3 -31.0 12.0 12.6 67.6 12 21 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.645 98.4 55.3 -70.0 -12.1 9.0 13.2 69.8 13 22 A L G < S+ 0 0 17 -3,-1.6 33,-2.7 28,-0.1 2,-0.3 0.427 83.4 113.5 -97.2 0.2 7.9 9.6 69.4 14 23 A V B < +a 46 0A 36 -3,-1.6 2,-0.3 -4,-0.2 33,-0.2 -0.566 29.5 158.5 -78.8 132.0 11.2 8.2 70.6 15 24 A F - 0 0 54 31,-2.6 2,-2.0 -2,-0.3 30,-0.1 -0.812 33.7-142.0-152.5 104.7 11.2 6.3 73.9 16 25 A D + 0 0 61 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.421 34.1 164.4 -77.6 72.3 14.2 4.0 74.4 17 26 A F - 0 0 10 -2,-2.0 2,-0.7 32,-0.1 32,-0.3 -0.692 27.4-149.5 -89.4 136.0 12.7 1.0 76.1 18 27 A D > - 0 0 48 -2,-0.3 3,-1.6 3,-0.2 -2,-0.0 -0.896 5.1-165.7-109.6 103.0 14.6 -2.3 76.2 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.651 90.6 50.2 -61.6 -16.0 12.2 -5.3 76.3 20 29 A Y T 3 S+ 0 0 43 1,-0.2 364,-0.4 -3,-0.0 -1,-0.3 0.506 129.3 15.6-100.0 -6.2 15.1 -7.6 77.3 21 30 A N S < S- 0 0 104 -3,-1.6 -1,-0.2 362,-0.1 -2,-0.2 -0.301 78.3-164.6-163.8 65.8 16.3 -5.4 80.2 22 31 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.303 24.3-127.6 -59.5 138.4 13.7 -2.7 81.3 23 32 A S T 3 S+ 0 0 129 1,-0.3 3,-0.4 9,-0.1 9,-0.1 0.787 106.8 47.5 -58.0 -32.9 15.2 0.0 83.4 24 33 A N T > S+ 0 0 62 8,-0.2 3,-1.7 1,-0.2 -1,-0.3 0.039 72.7 123.8-100.5 27.9 12.6 -0.3 86.2 25 34 A L G X + 0 0 26 -3,-1.6 3,-1.9 1,-0.3 357,-0.3 0.778 60.8 70.0 -57.5 -31.2 12.9 -4.1 86.4 26 35 A S G 3 S+ 0 0 120 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.739 94.1 57.3 -61.0 -22.3 13.7 -4.0 90.1 27 36 A A G < S- 0 0 49 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.513 132.1 -71.3 -86.2 -5.2 10.1 -3.0 90.8 28 37 A G <> - 0 0 9 -3,-1.9 4,-2.2 -4,-0.2 -1,-0.3 -0.174 43.8-101.1 121.6 142.8 8.6 -6.0 89.1 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 122.1 49.3 -64.5 -41.6 8.6 -6.8 85.4 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 113.0 48.7 -63.0 -40.5 5.0 -5.8 84.8 31 40 A E H 4 S+ 0 0 57 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.872 108.5 55.0 -63.9 -37.3 5.7 -2.6 86.6 32 41 A A H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -8,-0.2 0.912 111.1 43.2 -63.1 -43.3 8.8 -2.1 84.5 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.835 102.1 69.2 -71.3 -31.4 6.8 -2.4 81.3 34 43 A A G >< S+ 0 0 21 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.621 77.2 80.6 -64.1 -11.9 4.0 -0.2 82.7 35 44 A V G X S+ 0 0 26 -3,-0.9 3,-1.4 -4,-0.4 -1,-0.3 0.793 82.2 66.4 -64.0 -23.4 6.4 2.8 82.5 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.603 96.5 56.6 -70.9 -10.5 5.4 2.8 78.8 37 46 A Q G < S+ 0 0 8 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.231 78.6 118.9-107.6 14.0 1.9 3.8 80.0 38 47 A E S X S- 0 0 98 -3,-1.4 3,-2.2 1,-0.1 -3,-0.0 -0.403 80.1-104.6 -76.1 157.0 2.8 6.9 82.0 39 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.675 117.2 61.2 -57.5 -21.2 1.3 10.2 80.8 40 49 A N T 3 S+ 0 0 109 2,-0.1 -1,-0.3 1,-0.0 -4,-0.0 0.530 90.8 85.9 -84.7 -3.6 4.6 11.4 79.2 41 50 A V S < S- 0 0 9 -3,-2.2 -28,-0.1 -6,-0.1 4,-0.1 -0.845 76.4-128.9-105.4 126.5 4.6 8.5 76.8 42 51 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.164 27.8-110.0 -62.5 164.3 2.7 8.5 73.4 43 52 A D S S+ 0 0 67 1,-0.2 14,-3.0 13,-0.1 15,-0.5 0.824 109.7 31.6 -64.7 -32.3 0.3 5.6 72.5 44 53 A L E S+ B 0 56A 5 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.979 80.3 172.3-132.0 117.8 2.8 4.5 69.9 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.4 -2,-0.4 2,-0.5 -0.799 27.7-130.5-124.9 166.2 6.5 5.0 70.3 46 55 A W E -aB 14 54A 15 -33,-2.7 -31,-2.6 -2,-0.3 2,-0.4 -0.967 18.2-161.2-117.1 127.2 9.8 4.0 68.7 47 56 A T E - B 0 53A 0 6,-2.9 6,-2.1 -2,-0.5 -31,-0.2 -0.876 14.5-152.1-107.0 143.5 12.6 2.6 70.7 48 57 A R > + 0 0 78 -2,-0.4 -45,-2.9 4,-0.2 3,-0.5 0.434 67.2 105.4 -90.8 0.7 16.2 2.6 69.4 49 58 A C G > S+ 0 0 14 -32,-0.3 3,-2.4 1,-0.2 -2,-0.1 -0.359 76.7 17.4 -78.0 160.1 17.0 -0.5 71.5 50 59 A N G 3 S- 0 0 42 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.824 141.5 -44.9 47.8 43.9 17.3 -4.0 70.0 51 60 A G G < S- 0 0 62 -3,-0.5 -1,-0.3 -50,-0.3 -2,-0.1 0.225 105.5 -72.9 90.2 -15.1 17.8 -2.7 66.4 52 61 A G < + 0 0 4 -3,-2.4 256,-0.3 1,-0.1 2,-0.3 0.455 65.8 159.4 95.9 124.1 15.0 -0.2 66.6 53 62 A H E -B 47 0A 1 -6,-2.1 -6,-2.9 254,-0.1 256,-0.2 -0.983 37.1 -98.0-168.5 161.6 11.3 -0.9 66.5 54 63 A W E -Bc 46 309A 0 254,-2.7 256,-3.0 -2,-0.3 2,-0.4 -0.446 26.7-157.8 -83.7 161.1 7.8 0.4 67.4 55 64 A I E -Bc 45 310A 0 -10,-2.4 -10,-2.1 254,-0.2 2,-0.5 -0.949 8.1-148.8-141.7 117.9 5.9 -0.4 70.5 56 65 A A E -B 44 0A 0 254,-2.3 -12,-0.2 -2,-0.4 259,-0.1 -0.780 15.1-174.4 -84.9 129.1 2.1 -0.1 70.8 57 66 A T + 0 0 0 -14,-3.0 2,-0.4 -2,-0.5 -13,-0.1 0.517 54.4 70.7-105.1 -6.8 1.4 0.9 74.5 58 67 A R S > S- 0 0 7 -15,-0.5 4,-2.4 1,-0.1 3,-0.4 -0.889 75.9-128.0-116.9 145.7 -2.4 0.8 74.6 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.8 257,-0.3 5,-0.3 0.859 107.2 59.2 -54.3 -40.7 -4.8 -2.1 74.5 60 69 A Q H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.3 40.0 -56.7 -46.9 -6.8 -0.5 71.7 61 70 A L H > S+ 0 0 5 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.890 113.5 54.0 -70.1 -40.9 -3.9 -0.4 69.4 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.930 112.4 44.2 -59.9 -46.1 -2.5 -3.8 70.4 63 72 A R H X S+ 0 0 48 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.932 113.0 51.9 -64.6 -45.5 -5.9 -5.4 69.6 64 73 A E H X S+ 0 0 68 -4,-2.1 4,-1.8 -5,-0.3 3,-0.4 0.926 110.8 46.7 -56.6 -48.8 -6.3 -3.5 66.4 65 74 A A H < S+ 0 0 0 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.850 109.6 53.7 -64.9 -35.4 -2.8 -4.5 65.1 66 75 A Y H < S+ 0 0 5 -4,-1.8 279,-0.5 -5,-0.2 -1,-0.2 0.764 110.5 47.7 -71.2 -23.7 -3.3 -8.2 66.0 67 76 A E H < S+ 0 0 118 -4,-1.4 2,-1.5 -3,-0.4 -2,-0.2 0.838 101.4 67.6 -82.7 -34.5 -6.6 -8.3 64.0 68 77 A D >X + 0 0 42 -4,-1.8 4,-2.4 1,-0.2 3,-0.8 -0.537 52.1 157.4 -89.0 73.1 -5.1 -6.6 61.0 69 78 A Y T 34 + 0 0 71 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.690 66.1 74.9 -68.9 -16.6 -2.7 -9.3 59.7 70 79 A R T 34 S+ 0 0 171 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.900 114.2 19.1 -61.4 -42.9 -2.9 -7.6 56.3 71 80 A H T <4 S+ 0 0 49 -3,-0.8 222,-1.8 1,-0.2 2,-0.7 0.725 128.9 52.2 -98.1 -29.4 -0.7 -4.8 57.5 72 81 A F E < S-D 292 0A 0 -4,-2.4 -1,-0.2 -7,-0.2 220,-0.2 -0.833 79.5-165.8-115.2 92.4 0.9 -6.5 60.5 73 82 A S E > -D 291 0A 5 218,-2.6 218,-1.8 -2,-0.7 3,-0.6 -0.480 26.4-145.4 -84.3 147.4 2.4 -9.9 59.4 74 83 A S T 3 S+ 0 0 1 1,-0.2 -1,-0.1 216,-0.2 4,-0.1 0.371 77.8 100.8 -86.5 2.2 3.5 -12.8 61.6 75 84 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.856 99.7 21.2 -56.0 -36.1 6.3 -13.6 59.1 76 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.698 78.8 156.3-134.5 77.5 8.8 -11.9 61.4 77 86 A P + 0 0 2 0, 0.0 212,-2.9 0, 0.0 2,-0.3 0.418 48.9 74.8 -84.6 -4.4 7.0 -11.9 64.9 78 87 A F S S- 0 0 18 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.846 75.9-108.5-117.0 153.1 10.1 -11.6 67.2 79 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.940 91.6 51.8-116.4 138.3 12.5 -8.8 68.1 80 89 A P S >> S- 0 0 32 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.556 89.0-123.2 -70.1 172.0 15.3 -8.4 67.3 81 90 A R H 3> S+ 0 0 78 -31,-0.3 4,-2.5 1,-0.3 5,-0.3 0.844 109.8 59.8 -53.0 -39.0 15.0 -8.8 63.6 82 91 A E H 3> S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.881 108.5 44.1 -59.0 -39.8 17.5 -11.7 63.5 83 92 A A H <> S+ 0 0 6 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.919 112.6 51.8 -71.1 -44.9 15.3 -13.7 65.8 84 93 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -6,-0.6 -1,-0.2 0.849 112.4 45.4 -61.1 -36.3 12.1 -12.8 63.9 85 94 A E H < S+ 0 0 132 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.3 47.6 -75.6 -38.3 13.6 -13.9 60.6 86 95 A A H < S+ 0 0 24 -4,-1.7 2,-0.4 -5,-0.3 -2,-0.2 0.788 90.7 97.8 -71.6 -28.5 15.0 -17.1 62.0 87 96 A Y < + 0 0 14 -4,-2.1 -9,-0.1 1,-0.1 98,-0.0 -0.477 37.6 154.9 -65.8 117.1 11.7 -17.9 63.7 88 97 A D + 0 0 31 -2,-0.4 -1,-0.1 -12,-0.1 5,-0.1 0.096 17.0 144.9-133.2 24.3 9.8 -20.3 61.4 89 98 A F > - 0 0 2 3,-0.1 4,-1.5 145,-0.1 143,-0.2 -0.225 51.1 -89.3 -62.1 154.1 7.5 -22.2 63.9 90 99 A I T 4 S- 0 0 1 141,-1.7 145,-0.2 1,-0.2 -1,-0.1 -0.946 98.7 -0.3-116.1 137.1 4.0 -23.2 62.7 91 100 A P T >4 S+ 0 0 13 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.984 122.4 67.6 -91.9 4.9 1.5 -21.7 62.9 92 101 A T T 34 S+ 0 0 33 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.554 100.4 49.6 -62.7 -11.2 3.1 -18.6 64.6 93 102 A S T 3< S+ 0 0 16 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.3 0.275 101.9 80.9-108.2 10.5 5.2 -17.5 61.6 94 103 A M < - 0 0 11 -3,-2.0 -5,-0.0 -5,-0.1 -6,-0.0 -0.839 66.3-143.4-116.8 152.6 2.2 -17.7 59.2 95 104 A D >> - 0 0 37 -2,-0.3 4,-1.2 1,-0.1 3,-0.7 -0.708 45.4 -53.4-107.1 161.2 -0.7 -15.4 58.4 96 105 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.428 116.1 24.7 -69.0 153.4 -4.2 -16.4 57.6 97 106 A P T >4 S+ 0 0 107 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.991 121.8 54.6 -89.4 -1.0 -5.5 -18.2 55.6 98 107 A E T <4 S+ 0 0 122 -3,-0.7 4,-0.5 1,-0.2 3,-0.2 0.825 106.8 54.0 -58.4 -34.5 -2.2 -20.3 55.3 99 108 A Q T 3X S+ 0 0 15 -4,-1.2 4,-2.8 1,-0.2 3,-0.4 0.744 86.8 87.9 -72.8 -24.4 -2.2 -20.8 59.1 100 109 A R H <> S+ 0 0 153 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.873 88.8 40.7 -40.6 -65.9 -5.7 -22.2 59.2 101 110 A Q H > S+ 0 0 66 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.824 117.0 49.6 -59.6 -34.5 -5.1 -26.0 58.5 102 111 A F H > S+ 0 0 13 -4,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.894 108.1 53.2 -72.8 -38.6 -2.0 -26.1 60.7 103 112 A R H X S+ 0 0 66 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.903 107.5 53.0 -61.7 -39.6 -3.8 -24.4 63.6 104 113 A A H X S+ 0 0 46 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.898 109.2 48.0 -62.9 -41.8 -6.6 -27.0 63.4 105 114 A L H >X S+ 0 0 2 -4,-1.5 3,-0.7 1,-0.2 4,-0.6 0.908 110.7 50.2 -66.7 -42.6 -4.1 -29.9 63.6 106 115 A A H >X S+ 0 0 8 -4,-2.3 4,-1.2 1,-0.3 3,-1.2 0.885 104.2 59.6 -63.0 -37.1 -2.3 -28.4 66.6 107 116 A N H 3X S+ 0 0 71 -4,-2.1 4,-1.9 1,-0.3 -1,-0.3 0.790 95.4 66.2 -61.4 -25.9 -5.7 -27.9 68.3 108 117 A Q H << S+ 0 0 117 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.801 107.8 36.3 -65.9 -30.6 -6.0 -31.7 67.9 109 118 A V H << S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.613 132.5 22.9-101.2 -13.4 -3.2 -32.4 70.4 110 119 A V H < S+ 0 0 11 -4,-1.2 243,-0.3 100,-0.1 -2,-0.2 0.386 93.1 120.1-130.3 1.1 -3.6 -29.6 72.9 111 120 A G S >X S- 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 3,-0.8 0.023 81.5 -86.1 -64.4 172.7 -7.3 -28.6 72.6 112 121 A M H 3> S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.837 125.1 57.1 -48.3 -43.3 -10.0 -28.7 75.2 113 122 A P H 3> S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.909 109.1 46.6 -57.8 -41.0 -10.9 -32.4 74.6 114 123 A V H <> S+ 0 0 31 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.893 112.1 50.9 -66.9 -40.9 -7.3 -33.4 75.3 115 124 A V H X S+ 0 0 2 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.922 109.4 48.9 -64.2 -44.7 -7.2 -31.3 78.4 116 125 A D H < S+ 0 0 85 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.898 112.3 50.1 -62.5 -36.9 -10.4 -32.7 79.8 117 126 A K H < S+ 0 0 182 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.2 0.825 114.8 43.2 -69.8 -32.1 -9.1 -36.2 79.1 118 127 A L H >X S+ 0 0 29 -4,-1.8 4,-2.2 1,-0.2 3,-0.7 0.488 83.4 100.8 -91.4 -5.8 -5.8 -35.4 80.9 119 128 A E H 3X S+ 0 0 70 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.859 78.0 56.2 -48.9 -42.2 -7.3 -33.6 83.8 120 129 A N H 3> S+ 0 0 114 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.3 0.892 109.3 45.1 -60.6 -41.2 -6.9 -36.7 86.1 121 130 A R H <> S+ 0 0 119 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.876 112.1 52.8 -69.4 -37.8 -3.2 -36.9 85.5 122 131 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.946 112.9 43.7 -61.9 -47.4 -2.8 -33.1 86.0 123 132 A Q H X S+ 0 0 77 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.926 112.5 53.6 -63.0 -44.6 -4.6 -33.4 89.3 124 133 A E H X S+ 0 0 108 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.924 111.3 44.7 -55.8 -48.8 -2.7 -36.5 90.3 125 134 A L H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.907 111.8 51.5 -65.6 -43.6 0.7 -34.8 89.7 126 135 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.956 112.2 46.7 -58.2 -50.6 -0.2 -31.6 91.4 127 136 A C H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.889 113.7 48.7 -58.9 -41.9 -1.4 -33.4 94.5 128 137 A S H X S+ 0 0 74 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.947 113.2 45.0 -65.1 -50.1 1.7 -35.6 94.6 129 138 A L H X S+ 0 0 24 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.915 117.0 45.0 -61.2 -44.5 4.2 -32.8 94.2 130 139 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.917 110.6 52.6 -68.1 -43.5 2.5 -30.6 96.8 131 140 A E H < S+ 0 0 67 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.861 108.1 53.0 -61.2 -34.6 2.1 -33.4 99.3 132 141 A S H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.920 115.3 39.6 -66.2 -42.4 5.8 -34.2 99.1 133 142 A L H >X S+ 0 0 12 -4,-1.6 3,-2.3 1,-0.2 4,-0.6 0.824 96.7 83.4 -74.8 -34.6 6.7 -30.6 99.8 134 143 A R G >< S+ 0 0 42 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.832 90.3 44.9 -39.2 -58.2 4.1 -29.9 102.4 135 144 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.553 100.1 73.6 -71.3 -2.3 5.8 -31.3 105.5 136 145 A Q G <4 S- 0 0 106 -3,-2.3 -2,-0.2 -4,-0.1 261,-0.1 0.746 87.9-142.4 -81.7 -25.0 9.2 -29.6 104.6 137 146 A G S << S+ 0 0 10 -3,-1.0 260,-2.0 -4,-0.6 2,-0.3 0.662 72.7 45.2 72.3 16.0 8.1 -26.1 105.5 138 147 A Q E +F 396 0B 118 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.966 55.5 169.2-175.8 163.9 10.0 -24.6 102.6 139 148 A C E -F 395 0B 5 256,-1.7 256,-2.8 -2,-0.3 2,-0.9 -0.944 41.1-115.3-177.8 159.1 10.7 -24.9 98.9 140 149 A N E >> -F 394 0B 74 -2,-0.3 4,-2.7 254,-0.2 3,-0.5 -0.877 36.7-159.6-106.0 91.8 12.3 -23.1 95.9 141 150 A F H 3>>S+ 0 0 0 252,-2.1 5,-2.5 -2,-0.9 4,-1.7 0.773 79.8 58.5 -45.9 -40.8 9.0 -22.8 94.0 142 151 A T H 34>S+ 0 0 15 1,-0.2 5,-1.7 3,-0.2 -1,-0.2 0.951 120.4 25.6 -61.1 -49.0 10.5 -22.4 90.6 143 152 A E H <45S+ 0 0 120 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.752 123.3 52.6 -88.0 -21.0 12.4 -25.6 90.5 144 153 A D H <5S- 0 0 48 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.653 135.0 -14.6 -88.1 -18.0 10.2 -27.6 93.0 145 154 A Y T X5S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -3,-0.2 0.451 122.0 65.9-148.0 -51.6 6.8 -27.0 91.3 146 155 A A T 4 S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.857 108.9 57.7 -57.7 -38.3 8.2 -30.0 87.1 149 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 5,-0.1 0.979 116.6 28.0 -60.0 -62.8 4.4 -29.7 87.2 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 122.9 52.7 -68.2 -36.7 3.7 -28.2 83.7 151 160 A I H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.941 108.1 47.5 -66.0 -46.4 6.7 -29.7 82.1 152 161 A R H X S+ 0 0 90 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.875 111.5 52.7 -64.1 -33.9 6.1 -33.3 83.2 153 162 A I H X S+ 0 0 4 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.926 111.7 46.0 -65.9 -42.5 2.5 -33.0 82.0 154 163 A F H X S+ 0 0 9 -4,-2.1 4,-2.7 86,-0.2 -2,-0.2 0.920 110.5 51.5 -66.0 -43.7 3.7 -31.8 78.6 155 164 A M H X>S+ 0 0 1 -4,-2.9 5,-2.6 1,-0.2 4,-0.6 0.842 110.6 50.5 -62.6 -30.6 6.4 -34.5 78.3 156 165 A L H ><5S+ 0 0 76 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.927 111.1 47.9 -70.1 -45.1 3.7 -37.1 79.1 157 166 A L H 3<5S+ 0 0 23 -4,-2.2 53,-2.7 1,-0.2 -2,-0.2 0.895 117.6 41.9 -61.4 -40.8 1.4 -35.6 76.4 158 167 A A H 3<5S- 0 0 2 -4,-2.7 53,-0.4 51,-0.2 -1,-0.2 0.497 107.2-125.1 -86.5 -5.1 4.2 -35.6 73.9 159 168 A G T <<5 + 0 0 36 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.894 59.7 146.0 62.1 40.2 5.6 -39.0 74.9 160 169 A L < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.896 54.6-103.6-112.1 140.6 9.1 -37.7 75.5 161 170 A P > - 0 0 58 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.328 19.7-135.2 -62.4 136.5 11.4 -39.0 78.2 162 171 A E G > S+ 0 0 81 1,-0.3 3,-1.5 2,-0.2 -6,-0.0 0.696 99.7 75.4 -65.6 -17.6 11.7 -36.8 81.3 163 172 A E G 3 S+ 0 0 147 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.744 89.8 58.8 -65.6 -21.9 15.5 -37.2 81.2 164 173 A D G <> S+ 0 0 46 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.500 78.2 94.8 -85.8 -4.5 15.5 -34.8 78.3 165 174 A I H <> S+ 0 0 32 -3,-1.5 4,-3.4 1,-0.2 5,-0.3 0.928 80.4 51.2 -54.4 -53.0 14.0 -31.9 80.2 166 175 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.921 112.7 46.8 -51.4 -48.2 17.2 -30.2 81.3 167 176 A H H > S+ 0 0 100 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.916 117.3 42.7 -60.2 -46.0 18.5 -30.1 77.7 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.892 110.7 54.2 -70.4 -41.5 15.2 -28.9 76.3 169 178 A K H X S+ 0 0 21 -4,-3.4 4,-1.7 -5,-0.2 -1,-0.2 0.867 106.1 53.7 -62.0 -37.2 14.5 -26.3 79.0 170 179 A Y H X S+ 0 0 112 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.940 111.9 45.3 -62.1 -46.2 17.9 -24.7 78.4 171 180 A L H X S+ 0 0 6 -4,-1.4 4,-0.9 2,-0.2 3,-0.5 0.903 110.0 50.6 -66.0 -46.4 17.2 -24.3 74.7 172 181 A T H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.7 0.902 110.3 52.6 -61.0 -37.9 13.6 -22.9 74.9 173 182 A D H 3X S+ 0 0 36 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.757 100.5 60.7 -69.5 -24.5 14.8 -20.3 77.4 174 183 A Q H 3< S+ 0 0 9 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.760 106.6 48.4 -72.6 -23.0 17.6 -19.2 75.0 175 184 A M H << S+ 0 0 4 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.880 120.8 32.4 -82.8 -40.6 14.9 -18.3 72.5 176 185 A T H < S+ 0 0 4 -4,-1.6 210,-2.2 1,-0.2 211,-0.4 0.839 134.8 23.4 -86.4 -37.2 12.7 -16.3 74.9 177 186 A R S < S- 0 0 45 -4,-2.5 -1,-0.2 208,-0.2 -2,-0.1 -0.590 87.3-148.8-132.7 71.7 15.3 -14.8 77.2 178 187 A P - 0 0 63 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.007 14.2-167.1 -42.3 135.6 18.6 -14.7 75.3 179 188 A D - 0 0 110 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.516 42.2-117.6-102.7 -13.4 21.8 -15.1 77.3 180 189 A G S S+ 0 0 74 2,-0.4 3,-0.1 -6,-0.2 -6,-0.0 0.349 91.2 110.1 88.7 -5.6 24.0 -14.0 74.5 181 190 A S S S+ 0 0 74 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.732 87.9 5.5 -72.7 -25.0 25.6 -17.5 74.6 182 191 A M S S- 0 0 37 -8,-0.1 -2,-0.4 4,-0.0 -3,-0.2 -0.975 81.3-102.7-160.4 146.4 24.0 -18.5 71.3 183 192 A T > - 0 0 75 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.151 37.7-108.4 -65.1 164.0 22.0 -16.9 68.5 184 193 A F H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 121.6 53.5 -59.6 -41.3 18.2 -17.4 68.2 185 194 A A H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.887 105.8 52.2 -61.1 -42.8 19.0 -19.6 65.1 186 195 A E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 111.6 45.6 -62.9 -42.2 21.4 -21.8 67.0 187 196 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.930 114.4 48.8 -66.9 -44.5 18.9 -22.5 69.8 188 197 A K H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 110.9 50.5 -59.8 -47.4 16.2 -23.2 67.3 189 198 A E H X S+ 0 0 88 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.877 107.4 53.4 -59.1 -40.6 18.4 -25.5 65.3 190 199 A A H X S+ 0 0 27 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.883 109.0 49.8 -62.6 -37.9 19.4 -27.4 68.4 191 200 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.4 0.906 111.4 49.0 -67.2 -41.1 15.7 -27.9 69.2 192 201 A Y H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.902 105.1 56.8 -65.2 -42.0 15.1 -29.1 65.6 193 202 A D H < S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.775 108.3 49.7 -61.1 -25.6 18.0 -31.6 65.7 194 203 A Y H X S+ 0 0 32 -4,-1.0 4,-0.8 -3,-0.4 -1,-0.2 0.896 115.3 41.6 -78.4 -42.4 16.3 -33.1 68.8 195 204 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.860 99.7 71.7 -73.3 -39.8 12.9 -33.5 67.1 196 205 A I H X S+ 0 0 78 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.890 100.3 44.1 -45.0 -55.2 14.1 -34.6 63.7 197 206 A P H > S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.900 116.5 48.1 -59.4 -42.1 15.1 -38.2 64.8 198 207 A I H X S+ 0 0 21 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.900 110.2 50.1 -65.9 -44.5 11.9 -38.6 66.9 199 208 A I H X S+ 0 0 3 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.905 109.2 52.2 -62.5 -41.6 9.6 -37.4 64.2 200 209 A E H X S+ 0 0 98 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.900 112.3 46.2 -60.9 -40.7 11.1 -39.8 61.7 201 210 A Q H X S+ 0 0 90 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.890 112.9 49.4 -68.6 -40.6 10.6 -42.6 64.2 202 211 A R H < S+ 0 0 36 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.766 107.6 53.9 -71.2 -27.6 7.0 -41.5 64.9 203 212 A R H < S+ 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.826 115.3 41.0 -75.0 -31.8 6.1 -41.3 61.2 204 213 A Q H < S+ 0 0 149 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.956 132.0 22.8 -76.9 -57.3 7.3 -44.9 60.7 205 214 A K S < S- 0 0 128 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.728 90.4-156.5-113.8 78.7 5.9 -46.4 63.9 206 215 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.156 12.4-174.9 -56.0 144.6 3.0 -43.9 64.8 207 216 A G - 0 0 35 2,-0.2 -48,-0.0 -5,-0.1 -5,-0.0 -0.418 38.6-104.2-122.4-160.4 1.8 -43.7 68.4 208 217 A T S S+ 0 0 138 -2,-0.2 -49,-0.1 4,-0.1 2,-0.1 0.286 82.1 110.7-113.8 6.2 -1.0 -41.9 70.1 209 218 A D S > S- 0 0 28 -51,-0.1 4,-2.3 1,-0.1 -51,-0.2 -0.308 85.1-101.0 -76.3 164.4 1.3 -39.2 71.6 210 219 A A H > S+ 0 0 6 -53,-2.7 4,-2.3 1,-0.2 5,-0.2 0.863 120.6 50.5 -55.8 -42.4 1.2 -35.6 70.5 211 220 A I H > S+ 0 0 4 -53,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.927 110.4 49.5 -64.9 -43.2 4.2 -35.8 68.3 212 221 A S H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.923 111.2 49.9 -60.3 -45.2 2.9 -38.9 66.5 213 222 A I H < S+ 0 0 60 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.924 115.6 42.2 -61.1 -45.4 -0.4 -37.2 65.9 214 223 A V H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.957 113.3 52.7 -65.8 -49.6 1.2 -34.1 64.5 215 224 A A H 3< S+ 0 0 1 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.747 118.0 36.9 -59.0 -26.7 3.8 -36.0 62.5 216 225 A N T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.187 95.6 119.3-111.9 16.1 1.1 -38.2 60.8 217 226 A G < - 0 0 10 -3,-1.7 7,-2.1 -4,-0.1 2,-0.4 -0.151 59.6-118.5 -78.0 173.8 -1.6 -35.5 60.5 218 227 A Q E +H 223 0C 106 5,-0.2 2,-0.4 -117,-0.1 -1,-0.1 -0.937 26.8 178.4-117.5 137.0 -3.3 -34.1 57.4 219 228 A V E > S-H 222 0C 1 3,-3.0 3,-2.2 -2,-0.4 -117,-0.1 -1.000 71.0 -0.4-138.5 135.5 -3.1 -30.4 56.2 220 229 A N T 3 S- 0 0 122 -2,-0.4 -1,-0.1 1,-0.3 -118,-0.0 0.821 129.4 -61.5 57.2 30.6 -4.7 -28.9 53.1 221 230 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.511 121.9 87.6 76.1 4.5 -6.0 -32.4 52.3 222 231 A R E < S-H 219 0C 79 -3,-2.2 -3,-3.0 1,-0.0 -1,-0.2 -0.823 87.9 -73.4-130.7 169.1 -2.5 -33.8 52.0 223 232 A P E -H 218 0C 81 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.374 47.5-117.6 -65.0 135.6 0.2 -35.4 54.3 224 233 A I - 0 0 2 -7,-2.1 2,-0.1 -10,-0.1 -4,-0.0 -0.470 34.6-120.3 -70.7 142.3 2.0 -33.1 56.6 225 234 A T > - 0 0 59 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.399 15.5-114.1 -83.6 162.9 5.8 -33.0 55.8 226 235 A S H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.900 118.9 50.3 -60.3 -39.8 8.6 -33.9 58.2 227 236 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 110.1 47.3 -65.1 -46.7 9.7 -30.3 58.1 228 237 A E H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -138,-0.2 0.888 110.9 52.1 -63.9 -39.2 6.3 -28.8 58.9 229 238 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.895 109.5 51.0 -63.2 -38.8 5.8 -31.3 61.7 230 239 A K H X S+ 0 0 32 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.912 109.1 49.5 -64.1 -44.1 9.2 -30.2 63.1 231 240 A R H X S+ 0 0 48 -4,-2.2 -141,-1.7 1,-0.2 4,-0.8 0.773 113.9 46.9 -67.8 -26.4 8.2 -26.5 62.9 232 241 A M H X S+ 0 0 5 -4,-1.6 4,-1.8 -143,-0.2 3,-0.3 0.906 111.5 48.8 -79.8 -45.3 4.9 -27.3 64.7 233 242 A C H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.811 103.7 62.3 -64.9 -29.6 6.5 -29.4 67.5 234 243 A G H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.922 105.6 46.1 -61.6 -42.2 9.1 -26.7 68.1 235 244 A L H X S+ 0 0 41 -4,-0.8 4,-2.5 -3,-0.3 -2,-0.2 0.900 109.2 54.8 -66.4 -40.7 6.3 -24.4 69.1 236 245 A L H X S+ 0 0 27 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.877 104.7 54.3 -61.6 -37.9 4.7 -27.0 71.3 237 246 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 109.5 47.1 -63.5 -41.5 7.9 -27.5 73.2 238 247 A V H X S+ 0 0 19 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.927 113.3 48.8 -66.0 -43.3 8.2 -23.8 74.0 239 248 A G H <>S+ 0 0 29 -4,-2.5 5,-0.6 1,-0.2 4,-0.4 0.906 115.7 43.7 -63.0 -40.3 4.5 -23.7 75.0 240 249 A G H <5S+ 0 0 13 -4,-2.7 -86,-0.2 -5,-0.2 -1,-0.2 0.845 124.6 32.4 -74.8 -31.3 5.0 -26.7 77.2 241 250 A L H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.680 124.8 30.3-102.0 -19.2 8.3 -25.7 78.8 242 251 A D T <5S+ 0 0 0 -4,-2.7 -2,-0.1 -5,-0.2 -3,-0.1 -0.012 107.4 54.0-135.7 37.8 8.3 -21.9 79.0 243 252 A T T >>5S+ 0 0 45 -4,-0.4 4,-2.3 -3,-0.1 3,-0.8 0.514 111.7 27.1-125.8 -78.7 4.8 -20.4 79.5 244 253 A V H 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.903 108.9 35.9 -51.4 -45.2 6.1 -22.5 84.1 246 255 A N H <> S+ 0 0 13 -3,-0.8 4,-1.5 2,-0.2 3,-0.5 0.907 113.8 56.0 -77.3 -43.4 6.8 -18.8 84.5 247 256 A F H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.879 100.6 58.6 -58.2 -40.7 3.2 -17.7 85.1 248 257 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.882 104.5 52.1 -58.4 -38.0 2.8 -19.9 88.1 249 258 A S H X S+ 0 0 2 -4,-0.7 4,-2.2 -3,-0.5 -1,-0.2 0.901 107.5 50.2 -68.0 -39.5 5.7 -18.3 89.8 250 259 A F H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.940 114.9 46.1 -61.4 -43.8 4.4 -14.7 89.4 251 260 A S H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 112.9 47.1 -64.9 -44.4 1.0 -15.9 90.8 252 261 A M H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.850 108.5 56.3 -68.2 -33.8 2.5 -17.8 93.7 253 262 A E H X S+ 0 0 19 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.922 110.1 45.9 -62.5 -43.4 4.8 -14.8 94.6 254 263 A F H >< S+ 0 0 26 -4,-1.8 3,-1.0 1,-0.2 4,-0.5 0.935 111.9 50.2 -64.3 -47.3 1.7 -12.6 94.8 255 264 A L H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.3 7,-0.2 0.846 103.8 59.2 -61.7 -34.1 -0.3 -15.2 96.9 256 265 A A H 3< S+ 0 0 5 -4,-2.2 118,-0.3 1,-0.3 -1,-0.3 0.764 110.8 43.1 -65.6 -24.7 2.6 -15.5 99.3 257 266 A K T << S+ 0 0 126 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.429 108.2 64.2 -99.6 -1.4 2.3 -11.8 100.0 258 267 A S <> + 0 0 11 -3,-1.0 4,-1.8 -4,-0.5 3,-0.4 -0.652 47.5 169.0-129.6 80.1 -1.5 -11.7 100.2 259 268 A P H > S+ 0 0 59 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.860 82.6 59.0 -54.0 -38.2 -3.0 -13.6 103.1 260 269 A E H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.916 106.2 46.0 -58.7 -46.9 -6.4 -12.0 102.3 261 270 A H H > S+ 0 0 30 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.840 111.9 51.9 -67.4 -33.3 -6.4 -13.3 98.8 262 271 A R H X S+ 0 0 12 -4,-1.8 4,-1.8 -7,-0.2 3,-0.3 0.971 110.6 46.9 -66.3 -52.4 -5.4 -16.8 99.9 263 272 A Q H X S+ 0 0 103 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.877 107.3 60.7 -55.2 -40.0 -8.2 -17.0 102.6 264 273 A E H X S+ 0 0 42 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.918 108.3 40.2 -54.8 -50.5 -10.6 -15.7 99.9 265 274 A L H < S+ 0 0 3 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.781 110.7 60.0 -72.1 -27.6 -10.1 -18.7 97.6 266 275 A I H < S+ 0 0 65 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.6 31.5 -68.5 -41.5 -10.0 -21.2 100.4 267 276 A E H < S+ 0 0 123 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.696 129.3 40.3 -90.0 -18.4 -13.5 -20.4 101.7 268 277 A R >< + 0 0 118 -4,-1.5 3,-1.9 -5,-0.3 -1,-0.2 -0.596 64.3 164.1-129.0 69.8 -14.9 -19.5 98.2 269 278 A P G > + 0 0 65 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.728 69.4 72.2 -58.4 -26.5 -13.4 -22.1 95.8 270 279 A E G 3 S+ 0 0 129 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.658 90.2 62.6 -66.4 -12.9 -15.9 -21.2 93.1 271 280 A R G <> S+ 0 0 85 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.506 76.5 92.3 -88.2 -5.4 -14.0 -17.9 92.7 272 281 A I H <> S+ 0 0 9 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.901 81.6 52.8 -57.6 -44.5 -10.9 -19.8 91.6 273 282 A P H > S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.921 113.4 44.2 -59.1 -40.8 -11.7 -19.6 87.9 274 283 A A H > S+ 0 0 44 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.868 111.6 53.3 -69.2 -36.5 -12.1 -15.8 88.1 275 284 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.903 105.9 54.8 -64.0 -39.9 -9.0 -15.5 90.3 276 285 A C H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.938 109.8 46.3 -57.7 -48.1 -7.1 -17.4 87.6 277 286 A E H X S+ 0 0 41 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.917 112.1 49.5 -62.3 -45.2 -8.3 -14.8 85.0 278 287 A E H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.896 112.4 48.0 -63.1 -38.6 -7.4 -11.8 87.2 279 288 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.882 108.1 55.2 -68.8 -36.6 -3.9 -13.2 87.8 280 289 A L H < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.835 113.3 43.5 -63.3 -31.4 -3.5 -13.9 84.1 281 290 A R H >< S+ 0 0 0 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.964 117.7 41.6 -76.1 -56.7 -4.3 -10.2 83.6 282 291 A R H 3< S+ 0 0 18 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.836 125.4 35.5 -61.3 -36.6 -2.2 -8.7 86.4 283 292 A F T 3< S+ 0 0 13 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 -0.115 80.7 156.6-112.9 35.8 0.8 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