==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-FEB-00 1DZ6 . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.SCHLICHTING,J.BERENDZEN,K.CHU,A.M.STOCK,S.A.MAVES, . 809 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 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 . 4 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 . 30 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 5 0 0 4 1 5 2 0 2 0 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 8 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 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 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 11 A L 0 0 138 0, 0.0 47,-0.2 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 131.8 5.1 -14.2 62.7 2 12 A A - 0 0 25 45,-1.6 2,-0.2 1,-0.1 46,-0.0 -0.769 360.0 -87.3-104.9 152.8 7.3 -13.3 65.6 3 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.214 46.8-117.0 -52.4 110.8 6.4 -12.5 69.2 4 14 A L - 0 0 54 -2,-0.2 6,-0.1 1,-0.1 43,-0.0 -0.310 37.5-115.7 -55.9 117.9 5.6 -8.8 69.5 5 15 A P > - 0 0 30 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.223 17.2-113.0 -60.2 146.3 8.2 -7.3 71.9 6 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.836 114.7 53.7 -45.9 -49.9 7.3 -5.8 75.3 7 17 A H T 3 S+ 0 0 53 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.567 88.9 91.8 -68.4 -8.5 8.2 -2.3 74.2 8 18 A V S < S- 0 0 6 -3,-2.4 2,-0.1 292,-0.1 294,-0.1 -0.734 72.7-132.6 -94.8 122.9 6.0 -2.2 71.0 9 19 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 36,-0.2 -0.390 15.5-124.7 -71.4 137.2 2.4 -0.8 71.3 10 20 A E G > S+ 0 0 162 1,-0.3 3,-1.3 2,-0.1 -2,-0.0 0.746 103.2 65.0 -48.3 -38.2 -0.4 -2.8 69.8 11 21 A H G 3 S+ 0 0 143 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.445 97.5 54.8 -73.3 1.4 -1.7 0.1 67.6 12 22 A L G < S+ 0 0 13 -3,-1.9 33,-3.3 28,-0.1 2,-0.6 0.156 76.5 120.4-116.5 16.2 1.4 0.3 65.4 13 23 A V B < +a 45 0A 41 -3,-1.3 2,-0.4 31,-0.2 33,-0.2 -0.740 27.1 161.9 -88.1 120.8 1.5 -3.4 64.4 14 24 A F - 0 0 56 31,-2.3 2,-2.1 -2,-0.6 30,-0.1 -0.918 30.9-146.0-138.9 101.5 1.2 -3.7 60.6 15 25 A D + 0 0 57 -2,-0.4 2,-0.4 31,-0.2 31,-0.1 -0.303 33.9 161.1 -75.8 61.9 2.3 -7.2 59.4 16 26 A F - 0 0 6 -2,-2.1 2,-0.7 32,-0.1 32,-0.2 -0.669 27.4-152.6 -81.4 127.4 3.9 -6.3 56.0 17 27 A D > - 0 0 46 -2,-0.4 3,-2.2 3,-0.2 -2,-0.1 -0.840 1.3-159.9-103.2 104.4 6.4 -9.0 54.6 18 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.1 0.686 89.7 51.0 -54.6 -23.5 9.1 -7.4 52.3 19 29 A Y T 3 S+ 0 0 48 1,-0.2 364,-0.4 363,-0.0 -1,-0.3 0.466 130.4 13.8 -95.6 -3.7 9.9 -10.7 50.5 20 30 A N S < S- 0 0 107 -3,-2.2 -1,-0.2 362,-0.1 -3,-0.2 -0.291 81.8-166.4-166.7 66.4 6.3 -11.6 49.7 21 31 A P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 11,-0.1 -0.342 27.9-116.7 -66.4 146.0 3.9 -8.6 50.2 22 32 A S T 3 S+ 0 0 109 1,-0.3 3,-0.3 2,-0.1 9,-0.1 0.769 110.5 41.0 -49.3 -51.1 0.1 -9.1 50.2 23 33 A N T > S+ 0 0 81 8,-0.2 3,-3.2 1,-0.2 -1,-0.3 0.118 75.1 129.6 -89.9 22.4 -0.8 -7.0 47.1 24 34 A L G X + 0 0 31 -3,-1.9 3,-3.2 1,-0.3 7,-0.3 0.888 63.4 63.4 -43.8 -47.9 2.1 -8.3 45.1 25 35 A S G 3 S+ 0 0 131 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.627 95.9 61.2 -54.4 -13.7 -0.1 -9.2 42.1 26 36 A A G < S- 0 0 59 -3,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.472 130.7 -68.8 -88.5 -6.9 -1.0 -5.5 41.7 27 37 A G <> - 0 0 9 -3,-3.2 4,-3.4 -4,-0.2 -1,-0.3 -0.050 42.4-105.8 124.8 137.5 2.6 -4.5 41.0 28 38 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.865 122.5 49.8 -64.8 -36.1 5.5 -4.5 43.5 29 39 A Q H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.959 113.6 47.3 -66.4 -45.1 5.5 -0.7 43.9 30 40 A E H 4 S+ 0 0 60 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.935 110.1 53.1 -60.4 -45.8 1.7 -1.0 44.5 31 41 A A H >< S+ 0 0 0 -4,-3.4 3,-1.3 -7,-0.3 -8,-0.2 0.929 111.5 45.7 -55.8 -48.1 2.2 -3.8 47.0 32 42 A W H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.840 103.8 62.7 -64.8 -35.4 4.8 -1.7 49.0 33 43 A A G >< S+ 0 0 19 -4,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.457 72.2 90.7 -80.3 8.0 2.7 1.4 49.0 34 44 A V G X S+ 0 0 19 -3,-1.3 3,-1.8 -4,-0.4 -1,-0.3 0.851 79.5 69.0 -62.1 -31.7 -0.2 -0.2 51.0 35 45 A L G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.383 92.8 58.2 -64.9 2.5 2.0 1.2 53.9 36 46 A Q G < S+ 0 0 26 -3,-1.6 -1,-0.3 21,-0.0 -2,-0.2 0.283 77.0 122.7-121.6 11.2 0.9 4.7 52.7 37 47 A E S X S- 0 0 94 -3,-1.8 3,-1.3 1,-0.1 -3,-0.0 -0.210 77.7-105.9 -68.7 163.6 -2.8 4.3 53.0 38 48 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.866 117.5 57.4 -60.6 -37.7 -4.8 6.6 55.3 39 49 A N T 3 S+ 0 0 110 2,-0.0 -1,-0.3 0, 0.0 -4,-0.1 0.564 91.1 88.5 -67.5 -17.7 -5.2 4.0 58.0 40 50 A V S < S- 0 0 9 -3,-1.3 -28,-0.1 -6,-0.1 4,-0.1 -0.732 72.5-128.2-100.6 133.1 -1.5 3.4 58.5 41 51 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.228 27.5-107.6 -62.9 166.5 0.8 5.3 60.8 42 52 A D S S+ 0 0 64 1,-0.2 14,-1.4 13,-0.1 15,-0.5 0.515 108.4 30.5 -70.3 -13.8 4.1 6.9 59.8 43 53 A L E S+ B 0 55A 6 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.867 74.9 175.6-156.8 110.4 6.1 4.2 61.7 44 54 A V E - B 0 54A 0 10,-2.0 10,-2.4 -2,-0.3 2,-0.4 -0.811 25.7-131.1-114.7 165.3 4.9 0.6 62.1 45 55 A W E -aB 13 53A 13 -33,-3.3 -31,-2.3 -2,-0.3 2,-0.4 -0.950 20.5-157.7-112.6 131.5 6.2 -2.7 63.6 46 56 A T E - B 0 52A 0 6,-2.7 6,-1.7 -2,-0.4 -31,-0.2 -0.926 13.2-156.3-111.2 141.1 6.0 -5.8 61.5 47 57 A R + 0 0 71 -2,-0.4 -45,-1.6 4,-0.2 3,-0.4 0.691 65.9 99.9 -84.0 -14.8 6.0 -9.2 63.0 48 58 A C S > S+ 0 0 17 1,-0.2 3,-2.3 -32,-0.2 -2,-0.1 -0.112 79.7 20.7 -70.2 158.8 7.3 -10.9 59.8 49 59 A N T 3 S- 0 0 49 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 0.881 141.8 -49.2 55.8 42.7 10.9 -11.8 59.1 50 60 A G T 3 S- 0 0 62 -3,-0.4 -1,-0.3 29,-0.1 -2,-0.2 0.391 102.8 -75.8 81.3 -4.4 11.7 -11.9 62.8 51 61 A G < + 0 0 3 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.590 60.2 166.5 89.1 132.1 10.1 -8.4 63.5 52 62 A H E -B 46 0A 0 -6,-1.7 -6,-2.7 254,-0.1 256,-0.2 -0.976 37.6 -98.2-168.7 154.2 11.4 -4.9 62.7 53 63 A W E -Bc 45 308A 0 254,-3.0 256,-2.3 -2,-0.3 2,-0.3 -0.390 32.0-159.6 -70.3 160.7 10.2 -1.3 62.5 54 64 A I E -Bc 44 309A 0 -10,-2.4 -10,-2.0 254,-0.2 2,-0.5 -0.920 8.5-148.3-138.7 114.2 9.3 0.1 59.1 55 65 A A E -B 43 0A 0 254,-1.8 -12,-0.2 -2,-0.3 -13,-0.1 -0.773 13.6-170.0 -78.6 136.0 9.2 3.9 58.4 56 66 A T + 0 0 0 -14,-1.4 2,-0.3 -2,-0.5 -13,-0.1 0.389 55.4 64.9-103.9 -8.8 6.4 4.5 55.8 57 67 A R S >> S- 0 0 14 -15,-0.5 4,-1.8 1,-0.1 3,-0.8 -0.946 78.2-121.6-120.1 151.8 6.9 8.1 54.7 58 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.1 256,-0.3 5,-0.3 0.799 108.4 62.8 -57.9 -33.2 9.6 10.1 52.9 59 69 A Q H 3> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.924 108.9 38.3 -61.9 -42.8 10.1 12.4 55.9 60 70 A L H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 5,-0.2 0.801 111.9 56.9 -81.5 -32.9 11.2 9.7 58.3 61 71 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.983 111.4 44.0 -59.2 -51.8 13.3 7.7 55.8 62 72 A R H X S+ 0 0 53 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 113.5 50.0 -61.8 -43.7 15.4 10.8 55.1 63 73 A E H X S+ 0 0 69 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.947 113.4 45.9 -63.4 -43.6 15.7 11.8 58.7 64 74 A A H < S+ 0 0 0 -4,-2.4 7,-0.2 2,-0.2 -2,-0.2 0.927 109.8 52.7 -66.3 -41.0 16.8 8.3 59.8 65 75 A Y H < S+ 0 0 7 -4,-2.6 279,-0.4 -5,-0.2 -1,-0.2 0.878 111.1 49.5 -64.2 -31.2 19.3 7.9 56.9 66 76 A E H < S+ 0 0 111 -4,-1.9 2,-1.6 -5,-0.3 -1,-0.2 0.911 98.4 71.8 -73.1 -34.6 20.9 11.2 57.9 67 77 A D >X + 0 0 43 -4,-1.9 4,-2.5 1,-0.2 3,-0.7 -0.511 52.1 161.2 -89.1 81.1 21.2 10.3 61.6 68 78 A Y T 34 + 0 0 57 -2,-1.6 -1,-0.2 1,-0.2 5,-0.1 0.646 66.3 69.8 -75.8 -12.2 24.0 7.7 61.7 69 79 A R T 34 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 3,-0.2 0.886 119.0 19.9 -71.4 -33.0 24.6 8.1 65.4 70 80 A H T <4 S+ 0 0 49 -3,-0.7 222,-1.4 1,-0.2 2,-0.8 0.704 125.1 53.5 -98.9 -33.7 21.3 6.4 66.1 71 81 A F E < S-D 291 0A 1 -4,-2.5 2,-0.2 -7,-0.2 220,-0.2 -0.834 80.8-167.6-107.7 85.2 20.5 4.6 62.9 72 82 A S E > -D 290 0A 6 218,-2.6 218,-2.6 -2,-0.8 3,-0.6 -0.551 27.6-147.8 -82.9 145.6 23.7 2.5 62.2 73 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.335 74.1 102.9 -81.1 -6.8 24.7 0.6 59.1 74 84 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.839 97.6 20.5 -52.8 -37.0 26.4 -2.1 61.0 75 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.865 76.9 160.0-132.9 86.6 23.5 -4.5 60.4 76 86 A P + 0 0 2 0, 0.0 212,-1.8 0, 0.0 2,-0.3 0.386 46.5 74.9 -95.5 2.5 21.6 -3.1 57.4 77 87 A F S S- 0 0 18 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.874 74.1-109.8-115.9 157.2 19.6 -6.1 56.1 78 88 A I S S+ 0 0 4 -2,-0.3 2,-0.1 4,-0.1 307,-0.1 -0.941 91.4 59.7-117.3 129.5 16.5 -8.0 57.3 79 89 A P S >> S- 0 0 30 0, 0.0 4,-2.3 0, 0.0 3,-2.0 0.552 88.3-125.7 -81.7 172.0 16.4 -10.7 58.4 80 90 A R H 3> S+ 0 0 91 -31,-0.4 4,-2.1 1,-0.3 5,-0.2 0.806 110.5 53.9 -49.2 -40.4 18.6 -10.2 61.5 81 91 A E H 3> S+ 0 0 133 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.811 109.5 49.2 -69.6 -25.9 20.9 -13.0 60.6 82 92 A A H <> S+ 0 0 5 -3,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.930 111.3 47.9 -76.6 -46.8 21.4 -11.4 57.1 83 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.6 -1,-0.2 0.883 113.0 49.3 -59.7 -36.4 22.2 -8.0 58.5 84 94 A E H < S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.896 112.5 46.9 -72.3 -39.7 24.7 -9.6 61.0 85 95 A A H < S+ 0 0 22 -4,-1.7 2,-0.5 -5,-0.2 -2,-0.2 0.775 90.1 103.4 -66.6 -29.0 26.4 -11.6 58.3 86 96 A Y < + 0 0 13 -4,-2.2 -9,-0.1 1,-0.2 98,-0.0 -0.416 32.6 151.3 -61.4 111.9 26.6 -8.5 56.1 87 97 A D + 0 0 39 -2,-0.5 -1,-0.2 -12,-0.1 5,-0.1 0.118 17.0 145.5-130.3 24.4 30.1 -7.1 56.1 88 98 A F > - 0 0 3 3,-0.1 4,-2.7 145,-0.1 143,-0.2 -0.251 49.8 -99.1 -61.6 146.1 30.5 -5.4 52.8 89 99 A I T 4 S+ 0 0 0 141,-1.2 145,-0.2 2,-0.2 -2,-0.1 -0.956 97.1 6.7-107.7 133.5 32.6 -2.2 52.6 90 100 A P T >4 S+ 0 0 5 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.992 123.6 61.5 -90.7 -5.1 31.7 0.6 52.6 91 101 A T T 34 S+ 0 0 27 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.687 102.1 51.2 -58.5 -26.5 28.0 -0.2 53.2 92 102 A S T 3< S+ 0 0 15 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.3 0.358 99.2 80.2 -91.4 1.4 28.5 -1.9 56.6 93 103 A M < - 0 0 12 -3,-2.1 -5,-0.0 -5,-0.2 -20,-0.0 -0.772 66.8-145.2-105.1 154.8 30.5 1.0 58.1 94 104 A D > - 0 0 36 -2,-0.3 4,-1.6 -22,-0.1 3,-0.3 -0.830 41.4 -65.0-109.8 157.1 29.3 4.3 59.5 95 105 A P T 4 S+ 0 0 6 0, 0.0 2,-0.1 0, 0.0 249,-0.0 -0.475 113.8 40.9 -67.2 155.7 31.2 7.6 59.1 96 106 A P T >4 S+ 0 0 103 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.884 128.0 37.2 -73.1 -28.3 33.8 8.6 60.1 97 107 A E T 34 S+ 0 0 115 -3,-0.3 4,-0.4 1,-0.3 3,-0.4 0.808 112.4 59.2 -47.3 -45.5 35.4 5.2 59.3 98 108 A Q T >X S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 4,-0.9 0.801 88.0 77.5 -52.8 -37.6 33.3 4.6 56.1 99 109 A R H X> S+ 0 0 129 -3,-1.3 3,-1.3 1,-0.2 4,-0.7 0.893 86.0 53.9 -54.9 -44.5 34.6 7.7 54.3 100 110 A Q H 34 S+ 0 0 49 -3,-0.4 119,-0.4 -4,-0.4 4,-0.4 0.725 105.8 55.0 -63.9 -28.6 38.1 6.6 53.2 101 111 A F H X> S+ 0 0 2 -3,-0.9 4,-2.0 -4,-0.4 3,-0.5 0.738 95.2 67.3 -77.8 -21.7 36.7 3.5 51.5 102 112 A R H S+ 0 0 8 -3,-0.5 4,-0.8 -4,-0.4 3,-0.5 0.920 115.7 45.1 -81.1 -41.7 38.6 3.9 46.4 105 115 A A H >X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.3 3,-1.5 0.931 107.6 57.7 -67.2 -38.2 35.1 2.7 45.4 106 116 A N H 3X S+ 0 0 72 -4,-3.2 4,-2.2 1,-0.3 7,-0.3 0.853 100.8 59.4 -57.2 -35.6 34.5 5.9 43.5 107 117 A Q H 3< S+ 0 0 95 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.799 109.5 40.4 -70.6 -22.6 37.6 5.2 41.4 108 118 A V H << S+ 0 0 4 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.780 133.0 16.9 -97.6 -22.0 36.3 1.9 40.1 109 119 A V H < S+ 0 0 13 -4,-1.7 243,-0.4 239,-0.1 -2,-0.2 0.363 100.2 99.6-129.7 3.4 32.7 2.7 39.4 110 120 A G S X S- 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 3,-0.5 0.036 89.9 -71.2 -79.5-166.2 32.3 6.5 39.3 111 121 A M H > S+ 0 0 71 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.907 124.6 60.2 -57.8 -49.4 32.1 9.1 36.5 112 122 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.906 111.6 42.9 -45.3 -48.9 35.8 8.9 35.3 113 123 A V H > S+ 0 0 11 -3,-0.5 4,-2.8 -7,-0.3 -2,-0.2 0.864 107.4 57.7 -68.5 -36.7 35.2 5.1 34.6 114 124 A V H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.959 109.0 50.0 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-68.9 -27.8 12.5 -11.3 15.3 136 146 A G T <<5S+ 0 0 9 -3,-1.0 260,-2.3 -4,-0.6 2,-0.3 0.629 74.0 52.9 72.2 17.9 9.5 -9.1 16.3 137 147 A Q E < +F 395 0B 118 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.981 55.5 175.1-176.0 152.7 9.7 -10.5 19.8 138 148 A C E -F 394 0B 5 256,-1.9 256,-2.1 -2,-0.3 2,-0.8 -0.976 39.1-122.6-158.4 164.4 11.9 -11.1 22.9 139 149 A N E >> -F 393 0B 87 -2,-0.3 4,-3.3 254,-0.2 3,-0.7 -0.889 39.7-166.8-106.9 84.6 12.1 -12.3 26.5 140 150 A F H 3>>S+ 0 0 0 252,-1.8 5,-2.3 -2,-0.8 4,-1.6 0.799 76.3 58.2 -51.0 -41.5 13.4 -9.0 27.6 141 151 A T H 34>S+ 0 0 21 251,-0.2 5,-1.5 1,-0.2 -1,-0.2 0.944 121.4 28.3 -56.4 -44.8 14.6 -10.0 31.1 142 152 A E H <45S+ 0 0 123 -3,-0.7 -2,-0.2 3,-0.2 -1,-0.2 0.806 122.9 49.0 -83.8 -34.7 16.8 -12.7 29.6 143 153 A D H <5S- 0 0 46 -4,-3.3 -3,-0.2 3,-0.1 -2,-0.2 0.641 134.5 -9.8 -86.6 -18.7 17.6 -11.2 26.2 144 154 A Y T X5S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -3,-0.2 0.452 119.7 66.2-142.4 -53.0 18.7 -7.6 27.2 145 155 A A T 4 S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.866 108.7 56.8 -57.8 -35.3 23.3 -9.3 29.4 148 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.990 118.5 28.1 -64.5 -59.9 23.6 -5.5 28.8 149 159 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.911 123.8 53.3 -65.5 -37.0 24.4 -4.4 32.5 150 160 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.924 107.4 45.8 -68.8 -47.1 26.0 -7.7 33.2 151 161 A R H X S+ 0 0 87 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.887 112.1 53.3 -66.7 -32.6 28.5 -7.9 30.4 152 162 A I H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.910 110.5 48.1 -64.0 -40.8 29.6 -4.3 31.0 153 163 A F H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.962 112.6 46.3 -63.3 -49.4 30.2 -5.2 34.6 154 164 A M H X>S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 4,-0.5 0.851 111.6 54.2 -61.1 -34.9 32.3 -8.4 33.8 155 165 A L H ><5S+ 0 0 69 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.953 111.4 43.4 -63.2 -48.4 34.2 -6.4 31.2 156 166 A L H 3<5S+ 0 0 12 -4,-2.3 53,-2.5 1,-0.2 -2,-0.2 0.816 116.2 47.8 -64.0 -37.2 35.1 -3.7 33.8 157 167 A A H 3<5S- 0 0 1 -4,-2.3 53,-0.3 51,-0.2 -1,-0.2 0.404 108.6-124.9 -80.9 -11.2 36.0 -6.3 36.4 158 168 A G T <<5 + 0 0 35 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.928 61.7 144.2 66.8 35.1 38.1 -8.3 33.9 159 169 A L < - 0 0 10 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.907 53.7-104.4-109.3 144.4 36.0 -11.5 34.6 160 170 A P > - 0 0 63 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.427 21.6-128.2 -70.4 143.2 35.0 -14.1 32.0 161 171 A E G > S+ 0 0 93 1,-0.3 3,-1.4 2,-0.2 -7,-0.0 0.738 103.3 65.4 -68.7 -15.1 31.5 -14.3 30.7 162 172 A E G 3 S+ 0 0 161 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.648 89.0 68.0 -90.6 9.9 30.9 -17.9 31.4 163 173 A D G <> S+ 0 0 55 -3,-2.0 4,-2.2 1,-0.2 5,-0.3 0.518 78.1 93.1 -86.3 -4.7 31.2 -17.1 35.2 164 174 A I H <> S+ 0 0 32 -3,-1.4 4,-2.8 -4,-0.2 5,-0.4 0.898 76.7 52.2 -58.6 -50.0 27.9 -15.3 34.8 165 175 A P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.936 113.7 44.8 -55.5 -45.4 25.4 -18.0 35.7 166 176 A H H > S+ 0 0 95 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.971 116.0 44.2 -64.2 -52.7 27.2 -18.8 39.0 167 177 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.870 114.2 48.7 -62.1 -40.2 27.7 -15.2 40.2 168 178 A K H X S+ 0 0 20 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.865 109.5 54.0 -70.9 -31.3 24.1 -14.1 39.3 169 179 A Y H X S+ 0 0 92 -4,-1.6 4,-0.9 -5,-0.4 -2,-0.2 0.969 115.1 40.0 -59.3 -51.5 22.7 -17.1 41.1 170 180 A L H >X S+ 0 0 3 -4,-2.2 4,-0.8 1,-0.2 3,-0.8 0.909 114.5 50.3 -67.1 -47.6 24.7 -16.2 44.2 171 181 A T H >< S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 4,-0.2 0.913 109.3 54.3 -57.5 -40.3 24.1 -12.4 44.0 172 182 A D H >X S+ 0 0 28 -4,-2.1 4,-2.4 -5,-0.2 3,-1.0 0.748 99.2 60.4 -69.9 -17.2 20.5 -13.1 43.6 173 183 A Q H << S+ 0 0 11 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.649 99.9 58.4 -82.6 -13.1 20.3 -15.2 46.8 174 184 A M T << S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.505 120.9 23.0 -88.1 -10.3 21.4 -12.2 48.8 175 185 A T T <4 S+ 0 0 3 -3,-1.0 210,-1.7 -4,-0.2 211,-0.3 0.596 137.4 24.6-125.6 -34.8 18.5 -10.0 47.7 176 186 A R S < S- 0 0 28 -4,-2.4 -2,-0.1 208,-0.2 208,-0.1 -0.566 80.0-163.5-132.8 68.4 15.7 -12.4 46.7 177 187 A P - 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.268 13.2-166.6 -56.6 125.7 16.4 -15.7 48.5 178 188 A D - 0 0 103 3,-0.1 -5,-0.1 -2,-0.1 -6,-0.0 0.458 52.5-101.0 -87.9 -10.3 14.5 -18.7 47.1 179 189 A G S S+ 0 0 63 2,-0.4 3,-0.0 -6,-0.1 -6,-0.0 -0.017 102.0 96.6 115.3 -30.3 15.3 -20.8 50.2 180 190 A S S S+ 0 0 74 1,-0.1 2,-0.4 2,-0.0 -7,-0.0 0.891 89.4 33.2 -62.0 -41.0 18.2 -22.9 49.0 181 191 A M S S- 0 0 52 -8,-0.0 -2,-0.4 4,-0.0 2,-0.2 -0.928 72.4-132.9-122.2 148.0 20.9 -20.6 50.5 182 192 A T >> - 0 0 71 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.543 37.5-106.9 -80.7 159.1 21.2 -18.4 53.6 183 193 A F H 3> S+ 0 0 20 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.862 121.4 51.6 -54.3 -42.1 22.6 -14.9 53.1 184 194 A A H 3> S+ 0 0 41 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.831 108.3 47.5 -66.5 -34.9 25.8 -16.0 54.7 185 195 A E H <> S+ 0 0 111 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.940 114.2 49.1 -69.7 -42.8 26.4 -19.1 52.5 186 196 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.918 113.3 47.0 -57.9 -51.6 25.7 -17.0 49.5 187 197 A K H X S+ 0 0 15 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.873 111.8 48.7 -61.1 -45.5 28.1 -14.3 50.7 188 198 A E H X S+ 0 0 102 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.863 108.0 55.9 -68.3 -30.5 30.9 -16.8 51.6 189 199 A A H X S+ 0 0 24 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.823 107.5 50.2 -67.7 -28.2 30.4 -18.4 48.1 190 200 A L H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.935 111.9 45.8 -76.7 -40.4 31.1 -14.9 46.6 191 201 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.897 107.8 57.5 -61.2 -42.5 34.2 -14.4 48.6 192 202 A D H < S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.936 109.2 47.0 -55.8 -48.2 35.5 -17.9 47.8 193 203 A Y H X S+ 0 0 34 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.944 114.9 46.3 -57.8 -50.8 35.2 -17.0 44.2 194 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.795 94.1 79.1 -70.8 -26.1 37.0 -13.6 44.7 195 205 A I H X S+ 0 0 92 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.870 95.3 39.8 -50.5 -58.5 39.9 -14.9 46.9 196 206 A P H > S+ 0 0 85 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.936 116.8 53.0 -61.3 -41.6 42.3 -16.4 44.3 197 207 A I H X S+ 0 0 30 -4,-0.7 4,-3.1 1,-0.2 5,-0.2 0.968 107.9 48.8 -58.3 -52.8 41.6 -13.5 41.9 198 208 A I H X S+ 0 0 6 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.908 113.4 47.1 -52.9 -46.9 42.4 -10.8 44.4 199 209 A E H >X S+ 0 0 88 -4,-1.7 4,-1.5 -5,-0.3 3,-0.7 0.948 112.0 50.7 -65.4 -43.1 45.7 -12.5 45.4 200 210 A Q H 3X S+ 0 0 93 -4,-2.8 4,-1.7 1,-0.3 -2,-0.2 0.877 111.1 47.5 -62.9 -43.6 46.7 -13.0 41.7 201 211 A R H 3< S+ 0 0 38 -4,-3.1 -1,-0.3 -5,-0.2 5,-0.2 0.591 104.9 60.1 -78.8 -8.7 46.0 -9.3 40.8 202 212 A R H << S+ 0 0 79 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.834 110.6 42.5 -79.9 -28.1 48.0 -8.1 43.9 203 213 A Q H < S+ 0 0 129 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.869 129.9 26.4 -78.6 -37.3 51.1 -9.9 42.4 204 214 A K S < S- 0 0 148 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.676 85.8-152.9-129.2 75.4 50.4 -8.7 38.8 205 215 A P + 0 0 84 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.279 20.4 176.4 -56.9 131.9 48.5 -5.5 39.0 206 216 A G - 0 0 38 -5,-0.2 -5,-0.0 2,-0.1 0, 0.0 -0.283 41.8 -95.8-116.0-160.5 46.3 -4.9 35.9 207 217 A T S S+ 0 0 123 -2,-0.1 -49,-0.1 4,-0.0 5,-0.0 0.542 81.8 106.0-102.5 -13.1 43.8 -2.3 34.8 208 218 A D S > S- 0 0 24 -51,-0.1 4,-1.7 1,-0.1 -51,-0.2 -0.146 83.6-101.4 -73.0 161.9 40.5 -3.9 35.8 209 219 A A H > S+ 0 0 9 -53,-2.5 4,-2.0 1,-0.2 -52,-0.2 0.787 118.7 51.9 -53.7 -38.7 38.3 -3.0 38.7 210 220 A I H > S+ 0 0 7 -53,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.921 109.6 48.7 -69.3 -39.2 39.5 -5.9 41.0 211 221 A S H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.803 110.6 51.8 -65.2 -39.8 43.1 -5.0 40.5 212 222 A I H < S+ 0 0 54 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.925 113.9 42.4 -66.2 -43.8 42.4 -1.3 41.3 213 223 A V H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.931 116.2 48.6 -62.5 -45.8 40.6 -2.1 44.5 214 224 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.707 118.5 37.9 -74.0 -26.0 43.1 -4.7 45.6 215 225 A N T 3< S+ 0 0 64 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.017 99.7 121.4-110.2 22.5 46.1 -2.6 45.0 216 226 A G < - 0 0 8 -3,-1.4 7,-2.3 8,-0.1 2,-0.3 -0.364 56.3-128.8 -91.1 170.4 44.4 0.5 46.2 217 227 A Q E -H 222 0C 129 5,-0.2 2,-0.5 -2,-0.1 -2,-0.1 -0.852 6.9-151.1-116.3 149.4 45.1 3.0 49.0 218 228 A V E > S-H 221 0C 0 3,-3.3 3,-2.3 -2,-0.3 -117,-0.1 -0.959 80.8 -32.2-123.3 107.8 42.7 4.2 51.7 219 229 A N T 3 S- 0 0 137 -2,-0.5 -1,-0.1 -119,-0.4 -119,-0.1 0.935 130.3 -41.8 41.0 55.9 43.5 7.7 52.9 220 230 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.310 120.2 97.3 79.7 -11.1 47.2 7.0 52.2 221 231 A R E < S-H 218 0C 91 -3,-2.3 -3,-3.3 1,-0.1 -1,-0.2 -0.826 79.4 -96.0-112.0 158.0 47.6 3.4 53.6 222 232 A P E -H 217 0C 98 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.331 36.4-122.0 -65.7 138.6 47.4 0.1 51.7 223 233 A I - 0 0 4 -7,-2.3 2,-0.2 -10,-0.1 0, 0.0 -0.548 29.3-125.2 -76.4 147.6 44.1 -1.7 51.6 224 234 A T > - 0 0 60 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.579 19.8-110.1 -87.2 166.8 44.3 -5.3 53.0 225 235 A S H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 119.4 52.1 -61.3 -37.8 43.2 -8.4 51.2 226 236 A D H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 111.6 46.1 -70.0 -36.6 40.2 -8.9 53.6 227 237 A E H 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1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.837 100.5 70.3 -71.5 -20.5 5.7 15.7 15.8 568 172 B E G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.647 90.2 62.7 -73.2 -5.5 5.7 12.0 15.2 569 173 B D G <> S+ 0 0 42 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.553 78.0 92.5 -94.2 -7.1 4.9 12.7 11.5 570 174 B I H <> S+ 0 0 31 -3,-1.9 4,-2.9 -4,-0.2 5,-0.4 0.861 76.0 56.6 -54.6 -49.8 8.1 14.7 11.0 571 175 B P H > S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.944 112.4 42.5 -56.2 -39.6 10.4 11.8 9.7 572 176 B H H > S+ 0 0 104 -4,-0.3 4,-2.2 -3,-0.2 -2,-0.2 0.944 117.0 46.0 -72.5 -44.1 8.0 11.0 6.9 573 177 B L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.926 112.7 49.2 -66.6 -42.8 7.3 14.7 5.9 574 178 B K H X S+ 0 0 17 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.886 108.9 54.7 -64.1 -36.1 10.9 15.7 6.0 575 179 B Y H X S+ 0 0 90 -4,-1.6 4,-1.3 -5,-0.4 -2,-0.2 0.968 112.1 43.7 -61.9 -49.3 11.8 12.7 3.8 576 180 B L H X S+ 0 0 3 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.876 112.0 50.5 -63.7 -40.8 9.2 13.8 1.2 577 181 B T H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.8 0.948 108.9 54.2 -60.7 -44.1 10.2 17.6 1.2 578 182 B D H >X S+ 0 0 30 -4,-2.0 4,-3.0 1,-0.3 3,-0.5 0.838 100.4 59.3 -62.9 -34.2 13.8 16.7 0.8 579 183 B Q H 3< S+ 0 0 10 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.741 104.9 51.7 -66.3 -22.4 13.0 14.6 -2.3 580 184 B M H << S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.664 122.1 28.1 -84.9 -25.5 11.6 17.7 -3.9 581 185 B T H << S+ 0 0 4 -4,-0.8 210,-1.8 -3,-0.5 211,-0.5 0.656 139.8 13.4-109.0 -32.7 14.6 19.9 -3.3 582 186 B R S < S- 0 0 28 -4,-3.0 -2,-0.1 -5,-0.2 208,-0.1 -0.473 81.6-158.9-141.6 63.7 17.6 17.5 -3.3 583 187 B P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.232 14.1-159.2 -50.3 130.9 16.3 14.2 -4.7 584 188 B D - 0 0 103 3,-0.1 -5,-0.1 1,-0.0 -6,-0.0 0.421 50.8-104.8 -87.5 -5.3 18.3 11.1 -3.7 585 189 B G S S+ 0 0 67 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.261 99.1 101.9 105.2 -13.1 16.8 9.3 -6.7 586 190 B S S S+ 0 0 66 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.848 88.8 27.9 -73.8 -25.7 14.3 7.1 -4.9 587 191 B M S S- 0 0 42 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.993 74.2-131.4-135.1 149.0 11.3 9.3 -5.8 588 192 B T > - 0 0 77 -2,-0.4 4,-2.2 1,-0.1 5,-0.3 -0.405 35.9-106.8 -85.3 170.7 10.5 11.6 -8.6 589 193 B F H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 122.4 53.0 -61.1 -46.6 9.1 15.1 -7.8 590 194 B A H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 110.8 47.5 -53.8 -41.6 5.6 14.0 -9.0 591 195 B E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 112.8 46.3 -66.5 -41.6 5.8 11.0 -6.6 592 196 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.900 114.0 50.7 -66.4 -36.3 6.9 13.0 -3.5 593 197 B K H X S+ 0 0 32 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.952 108.1 50.7 -66.9 -41.9 4.3 15.6 -4.3 594 198 B E H X S+ 0 0 135 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.855 110.8 50.2 -60.2 -44.9 1.5 13.0 -4.6 595 199 B A H X S+ 0 0 24 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.918 108.6 51.8 -62.6 -47.4 2.5 11.5 -1.2 596 200 B L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.890 113.9 43.2 -55.7 -48.8 2.5 15.0 0.4 597 201 B Y H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 109.0 58.4 -64.4 -41.3 -1.0 15.7 -0.9 598 202 B D H < S+ 0 0 118 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 107.4 48.5 -57.9 -43.5 -2.1 12.1 0.1 599 203 B Y H X S+ 0 0 35 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.930 115.3 43.8 -59.2 -42.6 -1.0 13.1 3.7 600 204 B L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.754 91.5 81.0 -79.4 -26.9 -3.0 16.3 3.7 601 205 B I H X S+ 0 0 89 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.923 98.2 38.7 -53.6 -55.7 -6.3 15.3 2.1 602 206 B P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.860 115.1 54.3 -67.2 -30.6 -8.0 13.8 5.2 603 207 B I H X S+ 0 0 25 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.908 108.7 48.8 -67.2 -44.8 -6.6 16.5 7.5 604 208 B I H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.916 111.9 48.5 -62.9 -38.2 -8.0 19.2 5.3 605 209 B E H X S+ 0 0 92 -4,-2.0 4,-1.1 -5,-0.2 5,-0.2 0.940 111.9 49.9 -68.7 -42.8 -11.5 17.6 5.2 606 210 B Q H X S+ 0 0 90 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.905 111.0 48.9 -58.4 -46.8 -11.4 17.1 9.0 607 211 B R H < S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 104.8 58.3 -73.1 -19.3 -10.5 20.7 9.6 608 212 B R H < S+ 0 0 83 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.790 110.7 42.8 -76.5 -25.8 -13.2 22.1 7.3 609 213 B Q H < S+ 0 0 120 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.901 134.3 16.4 -84.8 -41.7 -15.9 20.3 9.4 610 214 B K S < S- 0 0 139 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.733 89.5-155.3-132.7 79.7 -14.6 21.2 12.8 611 215 B P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.195 8.2-164.6 -63.8 151.0 -12.1 24.0 12.4 612 216 B G - 0 0 40 2,-0.1 -48,-0.0 -5,-0.1 0, 0.0 -0.205 36.0-106.3-108.2-159.4 -9.2 24.8 14.7 613 217 B T S S+ 0 0 132 -2,-0.1 -49,-0.1 4,-0.1 2,-0.1 0.149 83.2 113.3-118.1 8.2 -7.0 28.0 15.0 614 218 B D S > S- 0 0 26 -51,-0.1 4,-1.9 1,-0.1 -51,-0.2 -0.356 84.2-104.0 -75.6 158.6 -4.0 26.2 13.4 615 219 B A H > S+ 0 0 6 -53,-2.5 4,-2.6 1,-0.2 5,-0.2 0.839 118.2 56.6 -56.0 -40.7 -2.7 27.3 10.0 616 220 B I H > S+ 0 0 6 -53,-0.3 4,-3.4 1,-0.2 5,-0.2 0.933 108.1 47.9 -61.2 -43.6 -4.3 24.4 8.1 617 221 B S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 111.1 51.2 -57.5 -44.8 -7.7 25.2 9.4 618 222 B I H < S+ 0 0 75 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.927 114.3 42.6 -65.5 -40.0 -7.3 28.8 8.5 619 223 B V H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.968 115.7 49.0 -68.0 -51.2 -6.2 28.0 5.0 620 224 B A H 3< S+ 0 0 0 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.754 118.3 38.4 -64.6 -28.0 -8.9 25.3 4.5 621 225 B N T 3< S+ 0 0 70 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.237 98.2 117.9-102.0 22.1 -11.7 27.5 5.8 622 226 B G < - 0 0 13 -3,-2.0 7,-2.0 -4,-0.1 2,-0.3 -0.107 57.5-128.2 -87.2 179.8 -10.4 30.7 4.1 623 227 B Q E -S 628 0I 131 5,-0.2 2,-0.6 -117,-0.1 -113,-0.1 -0.893 8.7-148.2-124.6 141.9 -11.8 33.1 1.4 624 228 B V E > S-S 627 0I 0 3,-2.6 3,-1.8 -2,-0.3 -117,-0.1 -0.983 85.5 -26.1-116.5 113.4 -9.9 34.2 -1.8 625 229 B N T 3 S- 0 0 129 -2,-0.6 -1,-0.2 -119,-0.4 -119,-0.1 0.926 131.3 -46.1 44.2 53.9 -11.0 37.6 -2.7 626 230 B G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.565 117.1 104.9 74.3 6.2 -14.3 36.9 -1.0 627 231 B R E < S-S 624 0I 90 -3,-1.8 -3,-2.6 1,-0.0 -1,-0.2 -0.921 79.0 -92.5-121.5 150.5 -15.1 33.4 -2.3 628 232 B P E -S 623 0I 99 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.336 39.3-126.3 -60.5 119.7 -14.8 30.0 -0.5 629 233 B I - 0 0 5 -7,-2.0 2,-0.2 -2,-0.1 -6,-0.0 -0.408 28.0-124.2 -60.2 147.5 -11.5 28.3 -1.1 630 234 B T > - 0 0 59 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.553 16.9-110.8 -91.9 169.5 -11.8 24.7 -2.4 631 235 B S H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.896 119.4 46.8 -59.4 -50.3 -10.5 21.5 -1.0 632 236 B D H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 111.5 50.1 -62.7 -42.9 -8.0 21.1 -3.8 633 237 B E H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.944 110.2 51.6 -58.6 -44.3 -6.9 24.7 -3.6 634 238 B A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.883 109.0 51.0 -58.6 -40.1 -6.3 24.3 0.1 635 239 B K H X S+ 0 0 32 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.937 108.0 50.8 -65.5 -46.0 -4.2 21.2 -0.5 636 240 B R H X S+ 0 0 63 -4,-2.4 -141,-1.9 1,-0.2 4,-0.8 0.779 114.6 45.0 -66.3 -26.3 -2.0 23.0 -3.0 637 241 B M H X S+ 0 0 0 -4,-1.6 4,-1.6 -143,-0.2 -2,-0.2 0.865 112.7 48.5 -87.8 -36.5 -1.4 25.8 -0.6 638 242 B C H X S+ 0 0 3 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.865 106.4 57.8 -72.0 -27.6 -0.8 23.7 2.5 639 243 B G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.953 107.4 48.5 -62.6 -48.1 1.7 21.5 0.6 640 244 B L H X S+ 0 0 32 -4,-0.8 4,-2.4 -5,-0.2 -1,-0.2 0.866 108.8 52.3 -57.4 -44.5 3.7 24.6 -0.1 641 245 B L H X S+ 0 0 24 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.911 107.2 53.8 -61.3 -40.7 3.7 25.8 3.5 642 246 B L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.892 108.6 48.1 -61.6 -40.4 5.0 22.4 4.6 643 247 B V H X S+ 0 0 20 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.909 111.9 49.8 -67.6 -43.2 7.9 22.5 2.2 644 248 B G H X S+ 0 0 32 -4,-2.4 4,-0.5 1,-0.2 5,-0.5 0.904 112.9 48.5 -58.0 -42.6 8.8 26.1 3.4 645 249 B G H < S+ 0 0 14 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.877 117.9 36.0 -63.6 -44.0 8.6 25.0 7.0 646 250 B L H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.595 122.1 35.0 -91.3 -14.8 10.8 21.8 6.8 647 251 B D H < S+ 0 0 1 -4,-1.9 -1,-0.1 -5,-0.2 -2,-0.1 0.192 105.2 51.8-136.3 36.3 13.5 22.7 4.3 648 252 B T S >X S+ 0 0 53 -4,-0.5 4,-2.1 -3,-0.2 3,-0.7 0.556 111.4 29.6-121.5 -72.5 14.6 26.4 4.4 649 253 B V H 3> S+ 0 0 10 -5,-0.5 4,-2.3 1,-0.2 5,-0.3 0.867 113.9 66.0 -55.1 -39.9 15.7 27.7 7.8 650 254 B V H 3> S+ 0 0 4 1,-0.2 4,-0.9 -5,-0.2 -1,-0.2 0.951 108.7 38.0 -51.3 -47.5 16.7 24.2 8.8 651 255 B N H <> S+ 0 0 9 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.918 112.7 56.0 -72.9 -45.8 19.5 24.3 6.2 652 256 B F H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.933 101.6 56.6 -52.6 -46.1 20.5 28.0 6.7 653 257 B L H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.3 5,-0.3 0.933 105.3 52.1 -55.2 -41.2 21.2 27.7 10.4 654 258 B S H X S+ 0 0 3 -4,-0.9 4,-1.9 -5,-0.3 -1,-0.3 0.837 107.7 51.8 -67.3 -36.3 23.7 24.9 9.8 655 259 B F H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.2 0.938 114.1 44.5 -60.5 -48.0 25.6 27.1 7.2 656 260 B S H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.940 114.0 47.2 -58.1 -52.3 25.8 29.9 9.8 657 261 B M H X S+ 0 0 5 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.850 109.4 53.9 -70.4 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