==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 06-NOV-10 3PIH . COMPND 2 MOLECULE: UVRABC SYSTEM PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.JACIUK,E.NOWAK,M.NOWOTNY . 836 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 66 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 4 5 4 3 0 2 4 3 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 9 2 3 3 4 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 3 1 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 2 A N 0 0 169 0, 0.0 21,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 159.1 -5.9 48.8 24.9 2 3 A E E -A 21 0A 60 19,-0.2 2,-0.3 21,-0.0 69,-0.1 -0.990 360.0-106.1-151.0 158.0 -6.5 46.1 22.4 3 4 A I E -A 20 0A 0 17,-2.4 17,-2.2 -2,-0.3 2,-0.4 -0.635 34.3-160.2 -78.3 141.6 -7.5 45.3 18.8 4 5 A V E -AB 19 69A 16 65,-2.3 65,-1.5 -2,-0.3 2,-0.4 -0.831 7.1-167.1-135.7 96.2 -11.1 43.9 18.6 5 6 A V E + B 0 68A 0 13,-2.4 2,-0.4 -2,-0.4 63,-0.2 -0.674 13.2 178.9 -79.8 132.8 -12.2 41.9 15.5 6 7 A K E + B 0 67A 68 61,-2.0 61,-2.0 -2,-0.4 60,-1.1 -0.988 61.2 11.6-138.7 127.5 -16.0 41.4 15.4 7 8 A G S S+ 0 0 2 8,-0.4 2,-0.7 -2,-0.4 59,-0.4 0.918 74.9 174.7 75.7 45.0 -18.0 39.6 12.7 8 9 A A B +C 16 0B 0 8,-2.9 8,-1.4 57,-0.2 7,-0.3 -0.763 16.6 146.8 -89.9 112.9 -15.0 38.1 10.9 9 10 A R + 0 0 75 55,-1.7 56,-0.1 -2,-0.7 -1,-0.1 0.018 14.4 147.4-138.4 28.8 -16.1 35.8 8.2 10 11 A V S > S- 0 0 23 54,-0.2 3,-3.0 28,-0.1 5,-0.1 -0.406 74.5 -32.7 -62.0 142.2 -13.5 36.1 5.5 11 12 A H T 3 S- 0 0 92 1,-0.3 24,-0.0 -2,-0.1 721,-0.0 -0.113 136.0 -9.2 41.7-125.5 -13.0 32.9 3.6 12 13 A N T 3 S+ 0 0 14 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.361 98.4 130.8 -83.5 4.4 -13.6 29.9 5.9 13 14 A L < - 0 0 8 -3,-3.0 2,-1.0 1,-0.1 462,-0.1 -0.407 58.6-136.5 -62.0 134.4 -13.8 32.1 9.0 14 15 A K - 0 0 73 460,-2.3 -5,-0.2 1,-0.1 -1,-0.1 -0.373 54.2 -82.9 -93.8 53.1 -16.9 31.2 11.0 15 16 A N S S+ 0 0 83 -2,-1.0 -8,-0.4 -7,-0.3 -6,-0.3 0.801 75.3 178.3 57.1 34.5 -18.0 34.8 11.8 16 17 A I B -C 8 0B 23 -8,-1.4 -8,-2.9 458,-0.3 -9,-0.3 -0.116 25.6-154.9 -75.1 167.2 -15.5 34.9 14.7 17 18 A T + 0 0 79 -11,-0.2 2,-0.3 -10,-0.2 -11,-0.2 -0.737 20.2 175.2-149.7 86.8 -14.9 37.8 17.1 18 19 A V - 0 0 2 -2,-0.3 -13,-2.4 445,-0.0 2,-0.7 -0.781 26.2-141.7-108.8 141.4 -11.5 37.9 18.8 19 20 A R E -A 4 0A 150 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.875 20.0-167.2 -96.3 114.1 -9.8 40.4 21.0 20 21 A I E -A 3 0A 0 -17,-2.2 -17,-2.4 -2,-0.7 2,-0.3 -0.883 23.4-120.3-101.1 132.7 -6.1 40.7 20.3 21 22 A P E > -A 2 0A 33 0, 0.0 3,-0.5 0, 0.0 -19,-0.2 -0.572 28.3-125.2 -71.9 129.9 -3.9 42.6 22.8 22 23 A K T 3 S+ 0 0 35 -21,-1.4 3,-0.1 -2,-0.3 423,-0.1 -0.326 86.5 21.1 -70.8 155.8 -2.1 45.7 21.4 23 24 A N T 3 S+ 0 0 75 1,-0.2 2,-0.3 420,-0.1 422,-0.2 0.833 99.7 112.7 58.1 40.2 1.7 46.0 21.6 24 25 A R S < S- 0 0 129 -3,-0.5 422,-2.1 419,-0.1 2,-1.1 -0.894 77.9-104.4-135.1 161.9 2.4 42.3 22.1 25 26 A L E -d 446 0C 0 -2,-0.3 435,-2.5 420,-0.2 436,-1.2 -0.808 46.8-173.9 -85.4 99.1 4.0 39.4 20.3 26 27 A V E -de 447 461C 0 420,-2.6 422,-2.9 -2,-1.1 2,-0.6 -0.860 9.4-163.7 -99.8 121.5 0.9 37.6 19.2 27 28 A V E -de 448 462C 0 434,-2.3 436,-1.7 -2,-0.6 2,-0.5 -0.917 3.3-158.9-107.1 120.8 1.4 34.3 17.4 28 29 A I E -de 449 463C 0 420,-1.8 422,-1.2 -2,-0.6 2,-0.3 -0.860 21.1-178.5 -96.8 125.5 -1.6 32.9 15.5 29 30 A T E + e 0 464C 0 434,-2.3 436,-2.9 -2,-0.5 2,-0.2 -0.800 13.0 130.2-125.7 160.8 -1.3 29.2 15.0 30 31 A G E - e 0 465C 0 420,-0.4 436,-0.1 -2,-0.3 3,-0.1 -0.775 56.4 -68.8 163.4 154.5 -3.2 26.4 13.4 31 32 A V S > S- 0 0 13 434,-0.5 3,-2.8 436,-0.3 5,-0.2 -0.309 71.7 -86.6 -57.0 138.3 -3.2 23.3 11.1 32 33 A S T 3 S+ 0 0 3 1,-0.3 437,-0.2 2,-0.1 -1,-0.1 -0.315 119.8 27.6 -55.6 120.1 -2.5 24.4 7.5 33 34 A G T 3 S+ 0 0 7 436,-0.1 437,-0.7 -3,-0.1 -1,-0.3 0.012 83.4 114.9 113.6 -21.9 -5.9 25.3 6.0 34 35 A S S < S- 0 0 0 -3,-2.8 440,-2.3 435,-0.2 441,-0.2 0.708 85.0-117.7 -54.6 -23.9 -7.5 26.3 9.3 35 36 A G S S+ 0 0 7 -4,-0.2 4,-0.4 438,-0.2 -1,-0.1 0.753 73.7 131.9 90.8 29.3 -7.8 29.9 8.0 36 37 A K S > S+ 0 0 6 -5,-0.2 4,-1.8 1,-0.2 5,-0.2 0.643 75.8 54.8 -85.8 -14.1 -5.6 31.7 10.5 37 38 A S H >>S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-1.4 0.730 101.1 59.6 -81.8 -24.6 -3.8 33.4 7.6 38 39 A S H 45S+ 0 0 9 3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.698 112.1 39.8 -74.7 -19.1 -7.2 34.5 6.5 39 40 A L H 4>S+ 0 0 0 -4,-0.4 5,-2.4 3,-0.2 -2,-0.2 0.814 121.2 40.5 -95.2 -41.3 -7.5 36.3 9.8 40 41 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 3,-0.2 6,-0.2 0.982 134.9 14.9 -67.8 -57.9 -4.0 37.6 10.2 41 42 A M T <>S+ 0 0 25 -4,-2.0 5,-1.3 3,-0.2 -3,-0.2 0.876 129.2 42.9 -91.9 -44.9 -3.4 38.7 6.6 42 43 A D T 5S+ 0 0 0 -6,-0.3 4,-1.6 -4,-0.2 5,-0.3 0.655 129.2 31.3-118.3 -67.0 -8.6 40.5 7.7 44 45 A I H >>X S+ 0 0 117 -4,-0.8 3,-3.5 -5,-0.3 4,-0.6 0.994 112.9 45.7 -70.0 -70.1 -4.9 54.0 5.7 53 54 A L H >< S+ 0 0 82 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.769 108.7 57.9 -44.8 -34.3 -4.4 54.1 1.9 54 55 A E T 3< S+ 0 0 112 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.504 100.5 58.5 -80.0 0.1 -8.0 55.2 1.4 55 56 A S T <4 S+ 0 0 96 -3,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.514 100.4 68.5-102.3 -11.8 -7.3 58.2 3.6 56 57 A L S << S- 0 0 93 -3,-1.0 2,-1.4 -4,-0.6 -3,-0.0 0.147 116.7 -55.8 -84.9-154.2 -4.5 59.4 1.3 57 58 A S - 0 0 116 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.480 62.5-155.8 -91.2 65.6 -4.9 60.7 -2.2 58 59 A T 0 0 96 -2,-1.4 -4,-0.1 -5,-0.2 -5,-0.0 -0.105 360.0 360.0 -41.5 128.0 -6.8 57.8 -3.7 59 60 A Y 0 0 150 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.619 360.0 360.0 -78.8 360.0 -6.2 57.6 -7.4 60 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 69 A K 0 0 136 0, 0.0 -11,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.9 -11.5 45.0 -1.8 62 70 A K - 0 0 69 -12,-0.0 -15,-0.1 2,-0.0 3,-0.1 -0.817 360.0-127.4 -93.8 99.0 -13.3 45.5 1.5 63 71 A P - 0 0 23 0, 0.0 2,-1.4 0, 0.0 -53,-0.1 -0.207 29.6-106.0 -47.6 123.2 -12.5 42.4 3.6 64 72 A D S S+ 0 0 83 -55,-0.1 -55,-1.7 -56,-0.1 2,-0.3 -0.332 73.8 125.6 -63.2 88.3 -15.8 40.9 4.8 65 73 A V - 0 0 22 -2,-1.4 -57,-0.2 -57,-0.2 -58,-0.2 -0.940 56.3-138.9-136.4 158.3 -15.7 41.9 8.5 66 74 A D S S- 0 0 100 -60,-1.1 2,-0.3 -59,-0.4 -59,-0.2 0.958 75.0 -25.6 -80.7 -59.8 -18.2 43.8 10.6 67 75 A E E -B 6 0A 90 -61,-2.0 -61,-2.0 2,-0.0 -1,-0.3 -0.970 46.6-160.1-152.0 155.4 -16.0 46.1 12.6 68 76 A I E > -B 5 0A 8 -2,-0.3 3,-0.7 -63,-0.2 -63,-0.2 -0.763 13.0-163.3-146.1 103.1 -12.5 46.3 14.0 69 77 A E E 3 S+B 4 0A 92 -65,-1.5 -65,-2.3 -2,-0.3 3,-0.1 -0.494 74.6 23.4 -79.0 151.4 -11.7 48.6 16.9 70 78 A G T 3 S+ 0 0 27 1,-0.2 -1,-0.2 -67,-0.2 -67,-0.1 0.374 83.6 160.2 79.8 -6.2 -8.1 49.6 17.8 71 79 A L < - 0 0 33 -3,-0.7 -1,-0.2 -67,-0.1 -3,-0.0 -0.139 17.7-170.1 -49.0 138.2 -7.1 48.9 14.2 72 80 A S - 0 0 15 -3,-0.1 342,-0.1 1,-0.0 -20,-0.1 -0.896 40.9 -72.0-125.4 156.6 -3.8 50.6 13.2 73 81 A P - 0 0 62 0, 0.0 341,-2.0 0, 0.0 2,-0.3 -0.312 62.4-147.7 -39.1 127.5 -2.1 51.1 9.9 74 82 A A E -f 414 0C 9 -29,-0.3 2,-0.4 339,-0.2 341,-0.2 -0.819 17.5-163.6-113.3 150.0 -0.8 47.6 9.1 75 83 A I E -f 415 0C 46 339,-2.4 341,-2.9 -2,-0.3 2,-0.5 -0.998 10.1-148.5-130.1 129.7 2.3 46.3 7.3 76 84 A A E -f 416 0C 20 -2,-0.4 2,-0.5 339,-0.2 341,-0.2 -0.866 9.6-164.3 -98.7 128.5 2.8 42.7 6.1 77 85 A I E +f 417 0C 1 339,-2.1 341,-1.5 -2,-0.5 2,-0.3 -0.942 33.0 115.9-108.5 130.7 6.3 41.3 6.0 78 86 A D - 0 0 31 -2,-0.5 2,-1.6 339,-0.2 323,-0.1 -0.938 69.6 -34.4-168.5-167.5 6.9 38.1 3.9 79 87 A Q S S+ 0 0 59 -2,-0.3 2,-0.3 339,-0.2 316,-0.1 -0.480 73.6 136.3 -72.2 88.5 8.7 36.5 1.0 80 88 A K 0 0 144 -2,-1.6 -2,-0.1 314,-0.4 -1,-0.1 -0.815 360.0 360.0-139.0 94.0 8.8 39.4 -1.5 81 89 A T 0 0 60 -2,-0.3 3,-0.1 309,-0.1 309,-0.1 0.125 360.0 360.0 -20.1 360.0 12.1 40.0 -3.4 82 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 83 91 A S 0 0 53 0, 0.0 10,-0.0 0, 0.0 314,-0.0 0.000 360.0 360.0 360.0 139.5 13.7 44.7 -4.7 84 92 A H + 0 0 159 -3,-0.1 -3,-0.0 307,-0.1 306,-0.0 0.638 360.0 99.5 -95.1 -21.4 13.6 43.6 -8.3 85 93 A N S > S- 0 0 71 1,-0.1 3,-1.9 2,-0.0 305,-0.2 -0.427 77.8-122.9 -85.4 151.1 15.8 46.4 -9.8 86 94 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 304,-0.0 0.486 104.7 65.0 -69.3 -3.0 19.5 46.0 -10.7 87 95 A R T 3 S+ 0 0 69 301,-0.1 2,-0.4 2,-0.0 5,-0.1 0.441 76.7 100.3-102.3 -3.6 20.4 48.9 -8.5 88 96 A S < + 0 0 14 -3,-1.9 301,-1.9 4,-0.1 302,-0.5 -0.727 43.3 174.5 -90.0 129.3 19.4 47.5 -5.1 89 97 A T B > -I 388 0D 6 -2,-0.4 4,-2.5 299,-0.3 299,-0.2 -0.775 49.8-105.6-115.8 169.0 22.1 46.1 -2.8 90 98 A V H > S+ 0 0 1 297,-2.1 4,-1.6 295,-0.9 6,-0.3 0.933 124.4 56.7 -55.0 -41.1 21.7 44.9 0.8 91 99 A G H >4>S+ 0 0 0 294,-2.5 6,-1.7 1,-0.2 5,-0.6 0.957 110.8 38.0 -52.9 -61.1 23.4 48.2 1.6 92 100 A T H >45S+ 0 0 32 293,-0.3 3,-1.2 1,-0.2 -1,-0.2 0.874 112.9 57.3 -62.4 -39.7 20.9 50.4 -0.2 93 101 A V H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.4 43.2 -65.7 -29.3 17.9 48.4 0.9 94 102 A T T <<5S- 0 0 7 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.405 108.9-121.7 -94.8 1.1 18.7 48.7 4.6 95 103 A E T X>5S+ 0 0 104 -3,-1.2 4,-1.1 -4,-0.4 3,-0.7 0.312 85.4 114.9 73.6 -9.1 19.6 52.4 4.3 96 104 A I H 3>< + 0 0 2 -5,-0.6 4,-1.9 -6,-0.3 -4,-0.2 0.869 63.0 62.9 -59.0 -38.0 23.0 51.4 5.6 97 105 A Y H 3> S+ 0 0 11 -6,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.847 98.5 56.7 -59.2 -34.4 24.8 52.4 2.4 98 106 A D H <> S+ 0 0 67 -3,-0.7 4,-1.6 -7,-0.3 -1,-0.2 0.953 104.3 49.6 -64.1 -51.5 23.8 56.0 2.8 99 107 A Y H X S+ 0 0 63 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.882 112.0 52.2 -52.0 -38.6 25.4 56.3 6.2 100 108 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.905 102.8 56.2 -63.0 -43.9 28.4 54.8 4.6 101 109 A R H X S+ 0 0 45 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.827 110.2 46.6 -59.5 -31.5 28.5 57.3 1.8 102 110 A V H X S+ 0 0 40 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.866 109.4 53.8 -76.1 -40.4 28.6 60.0 4.4 103 111 A L H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.922 109.6 46.2 -60.7 -47.7 31.3 58.3 6.4 104 112 A Y H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.797 113.3 52.3 -68.8 -27.1 33.6 58.0 3.4 105 113 A A H < S+ 0 0 21 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.938 115.3 39.5 -68.7 -47.7 32.8 61.6 2.6 106 114 A R H < S+ 0 0 144 -4,-2.9 2,-0.2 -5,-0.0 -2,-0.2 0.955 130.9 10.9 -71.8 -56.4 33.7 62.8 6.1 107 115 A I S < S+ 0 0 39 -4,-2.8 221,-0.0 -5,-0.2 246,-0.0 -0.614 88.4 88.7-108.9 178.7 36.8 60.7 6.8 108 116 A G - 0 0 30 -2,-0.2 2,-0.3 2,-0.0 220,-0.2 0.578 65.2-113.3 97.6 116.8 38.8 58.5 4.4 109 117 A K E -J 327 0E 61 218,-1.1 218,-2.5 217,-0.1 2,-0.1 -0.596 19.9-128.9 -91.9 135.1 41.7 59.7 2.3 110 118 A A E -J 326 0E 10 -2,-0.3 9,-1.5 216,-0.3 2,-0.2 -0.466 23.4-165.4 -72.8 147.5 41.7 59.9 -1.5 111 119 A H B -L 118 0F 33 214,-0.6 6,-0.1 7,-0.3 214,-0.1 -0.716 39.4 -70.8-121.5 176.6 44.6 58.2 -3.4 112 120 A C > - 0 0 3 5,-0.9 4,-1.7 -2,-0.2 2,-0.2 -0.602 37.9-133.1 -77.6 128.3 45.7 58.7 -7.0 113 121 A P T 4 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 211,-0.0 0.243 100.8 15.2 -62.6 13.5 43.1 57.2 -9.5 114 122 A E T 4 S+ 0 0 108 -2,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.413 132.5 37.7-154.9 -43.1 46.0 55.5 -11.4 115 123 A C T 4 S- 0 0 68 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.638 89.4-137.9 -93.9 -19.2 49.3 55.4 -9.4 116 124 A G < + 0 0 37 -4,-1.7 3,-0.0 1,-0.3 0, 0.0 0.547 50.2 148.5 74.5 7.0 47.5 54.8 -6.1 117 125 A R - 0 0 34 -6,-0.1 -5,-0.9 1,-0.1 -1,-0.3 -0.630 58.2-102.7 -79.1 128.1 49.8 57.3 -4.3 118 126 A P B -L 111 0F 79 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.265 41.8-122.9 -52.7 123.7 48.0 59.0 -1.4 119 127 A L - 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0 0 70 -5,-0.9 -1,-0.3 -8,-0.1 -2,-0.1 -0.992 39.2-116.6-145.7 150.5 29.7 28.4 -50.5 264 328 A S 0 0 101 -2,-0.3 -9,-0.0 1,-0.1 0, 0.0 -0.824 360.0 360.0-140.5 176.4 25.9 27.7 -50.7 265 329 A P 0 0 166 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.625 360.0 360.0 -90.7 360.0 23.0 27.6 -50.4 266 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 267 337 A P 0 0 172 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 122.3 27.2 25.6 -42.2 268 338 A E - 0 0 59 1,-0.1 -5,-0.0 0, 0.0 3,-0.0 -0.963 360.0 -72.0-128.8 149.0 30.8 25.0 -43.4 269 339 A D S S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.116 109.7 53.5 -48.1 147.7 34.0 25.9 -41.5 270 340 A V > + 0 0 115 -3,-0.0 3,-2.3 3,-0.0 4,-0.4 0.525 56.9 149.9 97.6 18.6 35.1 29.6 -41.2 271 341 A K T 3> + 0 0 123 1,-0.3 4,-1.5 2,-0.2 -2,-0.1 0.660 52.7 90.4 -52.4 -15.8 31.7 30.6 -39.8 272 342 A E H 3>>S+ 0 0 131 1,-0.2 4,-0.7 2,-0.2 5,-0.5 0.718 80.6 55.1 -56.1 -27.4 33.9 33.2 -38.0 273 343 A F H X>5S+ 0 0 32 -3,-2.3 3,-1.5 2,-0.2 4,-0.9 0.959 101.8 52.5 -73.4 -54.0 33.3 35.6 -40.9 274 344 A I H 345S+ 0 0 35 -4,-0.4 9,-2.3 1,-0.3 -2,-0.2 0.880 115.0 47.7 -46.6 -35.5 29.6 35.6 -40.9 275 345 A L H 3<5S+ 0 0 24 -4,-1.5 9,-1.5 7,-0.3 -1,-0.3 0.647 135.5 0.9 -85.1 -18.1 29.9 36.4 -37.2 276 346 A Y H <<5S- 0 0 109 -3,-1.5 6,-2.4 -4,-0.7 2,-0.2 0.594 88.4-144.0-140.4 -43.6 32.5 39.3 -37.4 277 347 A G << 0 0 23 -4,-0.9 4,-0.2 -5,-0.5 -2,-0.1 -0.619 360.0 360.0 106.5-163.2 33.5 40.1 -40.9 278 348 A D 0 0 112 2,-0.5 4,-0.1 -2,-0.2 0, 0.0 -0.337 360.0 360.0-115.7 360.0 36.8 41.2 -42.6 279 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 280 351 A F 0 0 92 0, 0.0 2,-0.6 0, 0.0 -2,-0.5 0.000 360.0 360.0 360.0 -63.3 32.9 43.3 -44.1 281 352 A E - 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0 0 1 -83,-3.3 4,-1.6 1,-0.2 6,-0.2 -0.523 29.7-148.4 -67.5 118.2 31.4 45.9 -16.6 312 385 A S T 4 S+ 0 0 93 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.746 90.9 40.4 -54.7 -27.3 34.8 45.7 -18.3 313 386 A V T 4 S+ 0 0 98 -90,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.933 121.7 29.7 -95.8 -59.4 35.9 48.9 -16.6 314 387 A C T 4 S- 0 0 10 4,-0.1 3,-0.4 -86,-0.0 5,-0.2 0.667 98.6-127.5 -78.6 -16.2 34.7 49.1 -13.0 315 388 A G < - 0 0 49 -4,-1.6 -3,-0.1 1,-0.2 -5,-0.1 0.505 68.6 -55.8 83.7 6.7 34.8 45.4 -12.7 316 389 A G S S+ 0 0 27 -5,-0.1 -1,-0.2 3,-0.1 -87,-0.1 0.529 112.3 119.2 95.2 12.0 31.3 45.2 -11.5 317 390 A R - 0 0 75 -3,-0.4 2,-1.3 -6,-0.2 -2,-0.1 0.535 64.7-146.5 -87.7 -8.1 32.1 47.6 -8.6 318 391 A R + 0 0 25 1,-0.1 -97,-2.4 -90,-0.1 -92,-0.3 -0.058 61.7 101.6 78.0 -36.1 29.6 50.1 -10.0 319 392 A L B S-Q 220 0I 1 -2,-1.3 -99,-0.2 -99,-0.2 -2,-0.2 -0.465 76.0-105.6 -88.0 153.7 31.5 53.2 -8.9 320 393 A N > - 0 0 16 -101,-2.6 4,-1.3 -109,-0.3 -99,-0.2 -0.001 41.9 -95.5 -62.9 178.1 33.7 55.5 -11.0 321 394 A R T 4 S+ 0 0 129 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.812 120.7 50.8 -70.4 -29.5 37.5 55.3 -10.8 322 395 A E T >4 S+ 0 0 52 2,-0.2 3,-2.8 1,-0.2 4,-0.5 0.959 106.0 50.9 -74.7 -52.9 37.7 58.2 -8.3 323 396 A A G >4 S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 10,-0.4 0.862 105.7 58.8 -53.0 -37.7 35.2 57.0 -5.7 324 397 A L G 3< S+ 0 0 31 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.570 99.1 62.0 -68.8 -6.4 37.0 53.7 -5.7 325 398 A S G < S+ 0 0 18 -3,-2.8 -214,-0.6 -214,-0.1 2,-0.5 0.573 77.6 93.6 -99.4 -11.4 40.1 55.6 -4.7 326 399 A V E < -J 110 0E 3 -3,-1.2 7,-0.6 -4,-0.5 2,-0.3 -0.734 62.0-172.4 -82.7 125.1 38.9 56.9 -1.3 327 400 A K E -JK 109 332E 67 -218,-2.5 -218,-1.1 -2,-0.5 2,-0.4 -0.853 27.5-158.8-123.5 153.7 40.0 54.5 1.4 328 401 A I E > S- K 0 331E 15 3,-2.0 3,-1.9 -2,-0.3 -224,-0.0 -0.971 89.6 -21.6-126.8 115.6 39.5 54.0 5.1 329 402 A N T 3 S- 0 0 110 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.826 133.0 -47.1 52.6 31.3 42.2 51.8 6.7 330 403 A G T 3 S+ 0 0 40 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.218 116.9 106.0 103.4 -13.9 42.9 50.5 3.2 331 404 A L E < -K 328 0E 36 -3,-1.9 -3,-2.0 4,-0.0 -1,-0.2 -0.871 57.7-144.6-107.2 125.3 39.4 49.7 2.0 332 405 A N E > -K 327 0E 7 -2,-0.5 4,-2.1 -5,-0.2 5,-0.2 -0.479 43.7 -93.9 -76.7 161.1 37.5 51.7 -0.6 333 406 A I H > S+ 0 0 0 -7,-0.6 4,-1.7 -10,-0.4 5,-0.1 0.803 125.8 48.0 -53.1 -36.7 33.8 51.9 0.1 334 407 A H H > S+ 0 0 22 2,-0.2 4,-1.1 1,-0.2 3,-0.5 0.977 107.2 54.7 -66.4 -55.8 33.0 48.9 -2.2 335 408 A E H >> S+ 0 0 62 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.893 108.9 52.5 -39.1 -45.3 35.8 46.7 -0.7 336 409 A F H >< S+ 0 0 3 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.907 103.1 54.3 -63.5 -42.6 34.1 47.5 2.6 337 410 A T H 3< S+ 0 0 7 -4,-1.7 49,-2.4 -3,-0.5 50,-0.3 0.601 99.8 66.1 -70.0 -7.0 30.6 46.4 1.5 338 411 A E H << S+ 0 0 83 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.761 79.3 92.8 -84.8 -26.1 32.2 43.1 0.4 339 412 A L S << S- 0 0 37 -3,-1.1 46,-0.5 -4,-0.7 47,-0.2 -0.385 95.3 -97.5 -61.9 144.2 33.0 42.0 4.0 340 413 A S B >> -S 384 0K 13 44,-0.2 4,-2.7 1,-0.2 3,-1.1 -0.319 42.6-102.4 -57.5 151.0 30.3 40.0 5.6 341 414 A I H 3> S+ 0 0 0 42,-3.1 4,-0.9 39,-0.3 41,-0.2 0.724 125.4 53.5 -58.0 -15.0 28.2 42.2 7.7 342 415 A S H 3> S+ 0 0 44 39,-1.4 4,-2.0 41,-0.3 -1,-0.3 0.818 108.0 46.2 -88.6 -32.2 30.0 40.8 10.7 343 416 A E H <> S+ 0 0 46 -3,-1.1 4,-2.7 38,-0.3 -2,-0.2 0.883 110.8 55.1 -68.7 -40.8 33.5 41.6 9.3 344 417 A E H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.873 107.4 51.9 -55.9 -40.5 32.2 45.0 8.4 345 418 A L H X S+ 0 0 16 -4,-0.9 4,-0.6 -5,-0.3 3,-0.2 0.961 111.3 42.7 -62.1 -55.6 31.2 45.4 12.1 346 419 A E H >X S+ 0 0 91 -4,-2.0 4,-3.3 1,-0.2 3,-1.1 0.874 110.1 59.1 -61.5 -36.6 34.6 44.4 13.6 347 420 A F H 3< S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.907 104.5 50.1 -56.9 -43.5 36.3 46.6 10.9 348 421 A L H 3< S+ 0 0 5 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.650 115.8 45.4 -67.8 -15.2 34.3 49.5 12.3 349 422 A K H << S+ 0 0 121 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.890 108.1 49.3 -97.3 -49.8 35.5 48.6 15.8 350 423 A N S < S+ 0 0 106 -4,-3.3 2,-0.7 -5,-0.1 -2,-0.1 0.272 89.1 116.0 -72.0 12.9 39.2 47.9 15.3 351 424 A L - 0 0 25 -5,-0.2 2,-0.7 2,-0.0 -3,-0.0 -0.777 50.7-167.7 -85.7 116.0 39.1 51.2 13.6 352 425 A N - 0 0 146 -2,-0.7 2,-0.4 0, 0.0 -2,-0.1 -0.857 9.5-177.0-111.3 98.1 41.2 53.7 15.5 353 426 A L - 0 0 51 -2,-0.7 5,-0.2 1,-0.1 -2,-0.0 -0.778 35.2 -97.7-100.4 137.3 40.5 57.3 14.3 354 427 A T >> - 0 0 96 -2,-0.4 4,-3.4 1,-0.1 3,-0.7 -0.083 38.0-113.7 -43.5 147.3 42.3 60.4 15.5 355 428 A E T 34 S+ 0 0 139 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.736 118.9 58.2 -65.6 -23.3 40.2 62.2 18.2 356 429 A R T 34 S+ 0 0 168 2,-0.2 4,-0.4 1,-0.1 -1,-0.3 0.862 115.2 39.3 -68.2 -35.1 39.7 65.2 15.9 357 430 A E T X> S+ 0 0 28 -3,-0.7 3,-2.1 1,-0.2 4,-1.1 0.948 109.2 57.0 -75.2 -55.5 38.2 62.6 13.5 358 431 A R T 3< S+ 0 0 37 -4,-3.4 -1,-0.2 1,-0.3 -3,-0.2 0.506 99.3 66.8 -59.1 -1.6 36.3 60.5 16.1 359 432 A E T 34 S+ 0 0 119 -5,-0.3 -1,-0.3 -4,-0.2 4,-0.2 0.779 110.7 29.7 -87.3 -32.4 34.6 63.8 17.0 360 433 A I T X> S+ 0 0 85 -3,-2.1 3,-0.6 -4,-0.4 4,-0.5 0.923 126.5 39.4 -85.9 -72.8 32.8 64.1 13.7 361 434 A V H >X S+ 0 0 10 -4,-1.1 4,-1.5 1,-0.2 3,-1.0 0.905 91.3 103.6 -40.6 -56.4 32.2 60.5 12.7 362 435 A G H 3> S+ 0 0 33 -5,-0.4 4,-0.9 1,-0.3 -1,-0.2 0.389 89.2 25.2 13.1 -84.3 31.5 59.6 16.3 363 436 A E H X> S+ 0 0 79 -3,-0.6 4,-3.1 -4,-0.2 3,-0.7 0.924 119.9 58.8 -72.0 -45.8 27.7 59.3 16.3 364 437 A L H X S+ 0 0 90 -4,-1.5 4,-3.4 2,-0.2 3,-0.6 0.919 98.2 62.7 -70.1 -46.4 23.7 44.6 14.4 374 447 A F H 3< S+ 0 0 30 -4,-1.3 4,-0.4 1,-0.3 -1,-0.2 0.816 103.7 53.8 -49.8 -29.0 19.9 44.3 13.6 375 448 A L H 3<>S+ 0 0 2 -4,-0.8 5,-2.8 2,-0.2 3,-0.4 0.902 111.6 42.2 -72.1 -41.2 21.2 42.4 10.6 376 449 A V H X<5S+ 0 0 33 -4,-1.0 3,-2.4 -3,-0.6 5,-0.4 0.936 109.5 57.9 -67.3 -47.1 23.2 40.0 12.8 377 450 A D T 3<5S+ 0 0 44 -4,-3.4 58,-0.3 1,-0.3 -1,-0.2 0.610 108.1 48.1 -58.3 -16.3 20.4 39.8 15.4 378 451 A V T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.400 124.3-106.0-106.6 -2.0 18.2 38.5 12.6 379 452 A G T < 5S+ 0 0 3 -3,-2.4 -3,-0.2 -4,-0.2 3,-0.2 0.753 89.2 113.6 88.3 27.7 20.8 36.0 11.5 380 453 A L > < + 0 0 1 -5,-2.8 3,-1.9 1,-0.1 -39,-0.3 0.033 30.7 120.0-114.7 25.4 22.1 37.7 8.3 381 454 A E T 3 + 0 0 40 -5,-0.4 -39,-1.4 1,-0.3 -38,-0.3 0.684 68.5 65.7 -62.9 -16.8 25.5 38.4 9.6 382 455 A Y T 3 S+ 0 0 19 -3,-0.2 431,-0.3 -42,-0.2 -1,-0.3 0.567 86.2 89.5 -82.8 -11.5 26.9 36.2 6.8 383 456 A L < - 0 0 2 -3,-1.9 -42,-3.1 -43,-0.1 2,-0.4 -0.204 68.2-136.3 -78.6 170.9 25.7 38.6 4.0 384 457 A T B > -S 340 0K 33 -44,-0.3 3,-1.8 -43,-0.1 -294,-0.3 -0.977 17.9-126.6-126.4 146.3 27.6 41.5 2.5 385 458 A L T 3 S+ 0 0 0 -46,-0.5 -294,-2.5 -2,-0.4 -295,-0.9 0.833 110.0 65.5 -58.4 -32.7 26.1 44.9 1.8 386 459 A S T 3 S+ 0 0 33 -49,-2.4 -1,-0.3 -47,-0.2 -48,-0.1 0.693 77.2 119.4 -63.1 -17.9 27.3 44.5 -1.8 387 460 A R S < S- 0 0 71 -3,-1.8 -297,-2.1 -50,-0.3 -296,-0.2 -0.229 73.7-114.2 -52.7 127.9 24.8 41.6 -2.2 388 461 A S B > -I 89 0D 27 -299,-0.2 3,-0.8 1,-0.2 -299,-0.3 -0.455 10.9-145.5 -63.0 131.5 22.2 42.2 -4.9 389 462 A A G > S+ 0 0 4 -301,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.827 99.9 69.3 -63.3 -29.6 18.8 42.4 -3.3 390 463 A T G 3 S+ 0 0 64 -302,-0.5 -1,-0.2 1,-0.3 -301,-0.1 0.814 97.2 46.6 -55.0 -38.8 17.8 40.7 -6.5 391 464 A T G < S+ 0 0 81 -3,-0.8 2,-0.4 -310,-0.0 -1,-0.3 -0.088 84.0 117.5-104.7 30.4 19.5 37.4 -5.6 392 465 A L < - 0 0 18 -3,-1.3 -311,-0.0 1,-0.1 -3,-0.0 -0.831 65.7-116.4-100.7 137.9 18.2 37.0 -2.0 393 466 A S > - 0 0 55 -2,-0.4 4,-2.2 1,-0.1 -313,-0.1 -0.015 33.2-103.5 -58.9 174.5 16.0 34.0 -1.1 394 467 A G H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -314,-0.4 0.881 123.5 47.9 -69.6 -37.7 12.5 34.8 0.1 395 468 A G H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.848 110.0 52.0 -72.6 -35.6 13.4 34.2 3.7 396 469 A E H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.941 111.8 47.2 -64.9 -45.5 16.5 36.4 3.4 397 470 A S H >X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.968 110.1 54.2 -54.1 -53.4 14.2 39.1 1.9 398 471 A Q H 3X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.868 110.0 45.0 -52.5 -44.2 11.7 38.6 4.7 399 472 A R H 3X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.738 108.4 57.3 -79.9 -21.3 14.3 39.1 7.5 400 473 A I H S+ 0 0 47 -4,-3.4 5,-0.6 1,-0.3 4,-0.3 0.884 113.7 46.0 -64.7 -37.1 11.6 48.1 9.7 406 479 A I H <5S+ 0 0 8 -4,-2.5 3,-0.4 -5,-0.3 -1,-0.3 0.804 114.8 51.4 -71.0 -26.2 13.0 47.7 13.2 407 480 A G H <5S+ 0 0 14 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.902 100.2 59.4 -72.1 -42.9 15.8 50.0 12.1 408 481 A S T <5S- 0 0 60 -4,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.553 97.4-143.2 -65.3 -7.3 13.4 52.7 10.8 409 482 A G T 5 + 0 0 31 -3,-0.4 -1,-0.1 -4,-0.3 -3,-0.1 0.600 36.9 166.1 53.6 13.5 12.1 52.8 14.3 410 483 A L < - 0 0 77 -5,-0.6 2,-0.3 2,-0.0 -1,-0.2 -0.279 14.4-169.5 -54.8 144.8 8.5 53.3 13.0 411 484 A T + 0 0 80 -3,-0.1 33,-0.2 1,-0.1 32,-0.1 -0.956 50.3 46.8-143.2 157.3 5.9 52.8 15.8 412 485 A G S S+ 0 0 41 31,-1.5 32,-0.1 1,-0.3 2,-0.1 0.221 82.0 117.7 97.2 -12.1 2.2 52.5 16.2 413 486 A V - 0 0 12 -341,-0.1 32,-1.7 -339,-0.0 2,-0.7 -0.446 65.5-122.6 -90.5 161.2 1.7 50.0 13.4 414 487 A I E -fg 74 445C 0 -341,-2.0 -339,-2.4 30,-0.2 2,-0.5 -0.907 27.7-158.0 -97.4 109.9 0.4 46.4 13.3 415 488 A Y E -fg 75 446C 0 30,-3.0 32,-3.5 -2,-0.7 2,-0.5 -0.780 4.8-165.3 -89.0 130.9 3.1 44.2 11.7 416 489 A V E -fg 76 447C 0 -341,-2.9 -339,-2.1 -2,-0.5 2,-0.4 -0.941 7.7-173.9-119.1 113.2 1.9 40.9 10.3 417 490 A L E -fg 77 448C 0 30,-2.9 32,-2.8 -2,-0.5 2,-0.7 -0.859 16.3-145.6-108.9 135.7 4.5 38.3 9.5 418 491 A D E S- g 0 449C 41 -341,-1.5 -339,-0.2 -2,-0.4 32,-0.2 -0.884 72.8 -39.4-102.0 111.8 4.0 35.0 7.7 419 492 A E > - 0 0 12 30,-3.5 3,-1.6 -2,-0.7 -1,-0.2 0.895 63.9-173.8 44.5 67.1 6.3 32.2 9.0 420 493 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 30,-0.1 0.422 72.9 75.9 -74.7 3.8 9.5 34.2 9.5 421 494 A T T > + 0 0 13 2,-0.1 3,-2.7 3,-0.0 2,-0.2 0.500 64.1 125.0 -90.2 -6.6 11.5 31.0 10.3 422 495 A I T < S+ 0 0 17 -3,-1.6 3,-0.1 1,-0.3 -24,-0.1 -0.351 83.7 9.8 -47.1 112.4 11.5 30.1 6.6 423 496 A G T 3 S+ 0 0 13 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.465 104.4 124.5 94.1 3.1 15.2 29.7 5.7 424 497 A L < - 0 0 5 -3,-2.7 -1,-0.3 121,-0.1 121,-0.1 -0.854 58.2-131.9-107.2 126.6 16.2 29.8 9.3 425 498 A H >> - 0 0 2 -2,-0.5 3,-1.6 1,-0.1 4,-0.5 -0.322 27.8-114.4 -65.4 151.4 18.3 27.2 11.1 426 499 A P G >4 S+ 0 0 14 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.823 116.3 65.7 -55.5 -29.9 17.0 26.0 14.5 427 500 A R G 34 S+ 0 0 42 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.749 102.2 44.8 -65.3 -27.6 20.2 27.6 15.9 428 501 A D G X> S+ 0 0 3 -3,-1.6 4,-1.5 1,-0.2 3,-0.6 0.447 84.8 92.1 -98.5 -1.7 19.1 31.1 14.9 429 502 A T H S+ 0 0 104 -4,-0.4 4,-0.8 -3,-0.2 -1,-0.2 0.898 106.6 43.9 -54.0 -44.4 16.6 32.4 19.5 431 504 A R H <> S+ 0 0 58 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.787 108.2 56.4 -80.8 -28.9 17.7 35.6 17.9 432 505 A L H X S+ 0 0 1 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.892 106.7 50.4 -67.5 -40.3 14.7 36.0 15.6 433 506 A I H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.810 108.4 54.3 -65.2 -29.1 12.4 36.0 18.5 434 507 A K H X S+ 0 0 102 -4,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.831 110.1 45.4 -77.7 -32.2 14.6 38.5 20.1 435 508 A T H X S+ 0 0 1 -4,-1.5 4,-2.5 -58,-0.3 5,-0.2 0.890 109.6 55.0 -75.4 -42.3 14.3 40.8 17.1 436 509 A L H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.878 109.5 47.8 -55.0 -40.3 10.5 40.2 16.9 437 510 A K H X S+ 0 0 45 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.773 109.9 52.9 -73.8 -25.4 10.3 41.4 20.5 438 511 A K H < S+ 0 0 65 -4,-0.9 4,-0.4 2,-0.2 -2,-0.2 0.891 105.8 51.7 -75.4 -39.9 12.4 44.4 19.8 439 512 A L T < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.674 112.2 51.3 -64.8 -17.3 10.1 45.4 16.9 440 513 A R T >> S+ 0 0 34 -4,-0.4 3,-1.9 -5,-0.2 4,-1.5 0.834 99.8 60.0 -86.2 -38.5 7.5 45.0 19.6 441 514 A D T 3< S+ 0 0 110 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.447 88.4 72.0 -78.1 0.0 9.1 47.3 22.2 442 515 A L T 34 S- 0 0 63 -4,-0.4 -1,-0.3 -32,-0.1 -2,-0.1 0.431 129.6 -94.8 -81.1 -1.3 9.1 50.2 19.8 443 516 A G T <4 S+ 0 0 26 -3,-1.9 -31,-1.5 1,-0.3 2,-0.3 0.902 82.1 136.1 84.4 48.9 5.3 50.0 20.6 444 517 A N < - 0 0 0 -4,-1.5 2,-0.6 -33,-0.2 -1,-0.3 -0.920 57.0-122.2-120.3 152.5 4.1 47.9 17.7 445 518 A T E - g 0 414C 2 -32,-1.7 -30,-3.0 -2,-0.3 2,-0.6 -0.850 29.5-161.4 -87.5 123.7 1.7 45.0 17.6 446 519 A V E -dg 25 415C 0 -422,-2.1 -420,-2.6 -2,-0.6 2,-0.6 -0.932 7.7-173.6-115.3 110.7 3.6 42.1 16.1 447 520 A I E -dg 26 416C 0 -32,-3.5 -30,-2.9 -2,-0.6 2,-0.5 -0.911 4.2-171.6-108.4 119.7 1.4 39.3 14.7 448 521 A V E -dg 27 417C 0 -422,-2.9 -420,-1.8 -2,-0.6 2,-0.9 -0.935 18.9-154.9-118.9 117.9 3.2 36.2 13.5 449 522 A V E +dg 28 418C 1 -32,-2.8 -30,-3.5 -2,-0.5 2,-0.3 -0.818 44.1 150.7 -80.4 110.0 1.6 33.3 11.7 450 523 A E - 0 0 2 -422,-1.2 -420,-0.4 -2,-0.9 -2,-0.0 -0.939 46.7-166.3-142.2 163.5 4.0 30.5 12.6 451 524 A H + 0 0 12 -2,-0.3 317,-0.2 -422,-0.1 -1,-0.1 0.571 56.6 114.6-119.3 -24.2 4.2 26.8 13.2 452 525 A D > - 0 0 36 1,-0.1 4,-2.2 2,-0.1 3,-0.2 -0.262 59.1-145.9 -56.0 127.3 7.6 26.6 15.0 453 526 A E H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.891 96.3 57.6 -63.2 -44.3 7.3 25.5 18.6 454 527 A E H > S+ 0 0 42 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.884 111.9 42.9 -56.2 -39.0 10.1 27.6 19.9 455 528 A V H >4 S+ 0 0 0 -3,-0.2 3,-0.6 2,-0.2 4,-0.4 0.887 111.8 53.2 -73.1 -41.4 8.3 30.7 18.6 456 529 A I H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.908 106.8 54.1 -58.6 -40.3 4.9 29.5 19.8 457 530 A R H 3< S+ 0 0 136 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 107.5 50.3 -70.0 -21.0 6.5 29.1 23.3 458 531 A N T << S+ 0 0 51 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.393 83.3 125.0 -96.8 2.9 7.7 32.7 23.3 459 532 A A < - 0 0 9 -3,-1.2 23,-0.5 -4,-0.4 -433,-0.2 -0.333 54.4-151.9 -60.6 138.7 4.4 34.2 22.3 460 533 A D S S+ 0 0 46 -435,-2.5 2,-0.3 1,-0.3 -434,-0.2 0.730 89.6 7.0 -74.1 -25.7 2.9 36.9 24.6 461 534 A H E S-e 26 0C 24 -436,-1.2 -434,-2.3 20,-0.1 2,-0.4 -0.953 73.0-152.4-159.2 133.2 -0.5 35.7 23.4 462 535 A I E -eH 27 480C 0 18,-3.3 18,-2.0 -2,-0.3 2,-0.4 -0.900 6.7-170.8-115.8 143.1 -1.6 32.8 21.2 463 536 A I E -eH 28 479C 0 -436,-1.7 -434,-2.3 -2,-0.4 2,-0.6 -0.953 11.5-160.8-129.8 113.8 -4.7 32.3 19.0 464 537 A D E -eH 29 478C 4 14,-3.0 13,-2.1 -2,-0.4 14,-0.9 -0.829 5.4-158.6-101.5 122.9 -5.3 28.8 17.7 465 538 A I E +eH 30 476C 1 -436,-2.9 -434,-0.5 -2,-0.6 11,-0.2 -0.818 42.7 18.0-105.3 137.2 -7.5 28.5 14.6 466 539 A G E - H 0 475C 0 9,-2.3 9,-1.5 -2,-0.4 2,-0.2 -0.919 42.0-140.0 170.3-142.7 -9.3 25.3 13.6 467 540 A P S S- 0 0 81 0, 0.0 -436,-0.3 0, 0.0 6,-0.2 -0.719 95.9 -38.5 -49.5 -58.0 -10.3 22.6 14.5 468 541 A G S S- 0 0 16 4,-3.0 6,-0.1 1,-0.3 -435,-0.1 -0.405 82.1 -51.3-123.9-160.8 -9.1 21.6 11.1 469 542 A G S > S- 0 0 4 251,-0.2 3,-2.6 -437,-0.2 -1,-0.3 -0.080 95.4 -6.6 -72.2 173.9 -8.9 22.9 7.5 470 543 A G G > S+ 0 0 19 -437,-0.7 3,-2.3 1,-0.3 254,-0.1 -0.052 139.3 1.0 43.7-128.9 -11.7 24.2 5.3 471 544 A T G 3 S+ 0 0 101 252,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.683 130.2 66.2 -63.0 -17.7 -15.2 23.9 6.9 472 545 A N G < S+ 0 0 85 -3,-2.6 -4,-3.0 251,-0.1 -1,-0.3 0.396 104.8 50.0 -82.0 2.9 -13.3 22.3 9.9 473 546 A G < + 0 0 0 -3,-2.3 -438,-0.2 -6,-0.2 -4,-0.1 -0.203 56.7 91.0-116.3-151.3 -11.6 25.7 10.6 474 547 A G S S+ 0 0 0 -440,-2.3 -460,-2.3 1,-0.2 2,-0.4 0.615 73.7 108.9 71.8 11.9 -12.6 29.3 11.0 475 548 A R E S-H 466 0C 86 -9,-1.5 -9,-2.3 -441,-0.2 2,-1.3 -0.948 74.9-121.9-124.7 143.1 -13.0 28.9 14.7 476 549 A V E +H 465 0C 41 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.680 31.5 176.5 -81.3 96.9 -11.0 30.1 17.7 477 550 A V E - 0 0 33 -13,-2.1 2,-0.2 -2,-1.3 -1,-0.2 0.488 67.8 -3.5 -84.0 -4.4 -10.1 26.8 19.3 478 551 A F E +H 464 0C 31 -14,-0.9 -14,-3.0 -3,-0.1 2,-0.3 -0.803 58.7 178.8-178.5 145.7 -7.9 28.6 21.9 479 552 A Q E +H 463 0C 78 -16,-0.2 2,-0.3 -2,-0.2 -16,-0.2 -0.963 41.5 59.3-154.2 139.6 -6.6 32.0 22.9 480 553 A G E S-H 462 0C 5 -18,-2.0 -18,-3.3 -2,-0.3 2,-0.0 -0.969 79.8 -15.2 141.5-159.8 -4.5 33.2 25.8 481 554 A T > - 0 0 58 -2,-0.3 4,-2.2 -20,-0.2 5,-0.2 -0.238 52.9-115.6 -82.2 164.5 -1.0 32.6 27.2 482 555 A V H > S+ 0 0 27 -23,-0.5 4,-2.2 2,-0.2 5,-0.3 0.953 118.1 51.6 -57.9 -51.5 1.5 29.9 26.6 483 556 A D H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 108.9 51.3 -50.8 -50.7 1.2 28.8 30.3 484 557 A E H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 110.7 48.1 -51.6 -48.8 -2.6 28.6 29.9 485 558 A L H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 115.6 43.3 -67.2 -32.0 -2.3 26.5 26.8 486 559 A L H < S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.658 110.3 57.2 -89.1 -15.7 0.2 24.1 28.4 487 560 A K H < S+ 0 0 86 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.804 128.6 13.7 -78.3 -33.1 -1.8 24.0 31.6 488 561 A N S < S+ 0 0 64 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.2 -0.550 74.1 152.7-145.3 76.2 -4.9 22.8 29.8 489 562 A P > + 0 0 13 0, 0.0 3,-2.0 0, 0.0 7,-0.2 0.512 47.1 99.1 -84.1 -13.2 -3.9 21.6 26.2 490 563 A D T 3 S+ 0 0 79 1,-0.3 3,-0.1 5,-0.1 -4,-0.1 0.546 74.3 74.3 -53.5 -3.6 -6.8 19.1 25.8 491 564 A S T 3 S+ 0 0 58 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.3 0.710 98.7 21.5 -88.1 -25.8 -8.3 22.0 23.8 492 565 A S <> - 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0 0 2 30,-1.1 5,-1.5 31,-0.2 6,-0.2 -0.826 36.2-162.9 -91.1 119.9 -22.4 27.3 -19.7 644 717 A E T 5S+ 0 0 89 -2,-0.6 3,-0.2 3,-0.2 -1,-0.1 0.635 81.6 70.3 -82.6 -14.5 -21.8 29.5 -22.6 645 718 A A T 5S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.0 22,-0.0 0.978 118.1 21.4 -56.9 -56.0 -23.4 32.6 -21.0 646 719 A C T > 5S- 0 0 1 -3,-0.1 3,-3.3 6,-0.1 5,-0.4 0.097 107.2-117.6-104.5 20.4 -20.4 32.8 -18.6 647 720 A Q T 3 5S- 0 0 74 1,-0.3 -3,-0.2 -3,-0.2 -2,-0.0 0.692 76.1 -56.1 53.4 19.1 -17.9 30.8 -20.7 648 721 A G T 3 - 0 0 117 -2,-0.7 3,-0.8 3,-0.3 2,-0.1 -0.872 36.6 -91.0-119.9 159.2 -20.5 50.1 -15.9 657 730 A L T 3 S- 0 0 138 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.354 97.2 -5.5 -69.5 139.9 -19.4 53.7 -16.4 658 731 A F T 3 S+ 0 0 203 1,-0.1 -1,-0.2 -2,-0.1 0, 0.0 0.528 113.3 94.1 60.8 5.4 -16.7 55.3 -14.3 659 732 A L S < S- 0 0 77 -3,-0.8 -3,-0.3 3,-0.0 -1,-0.1 -0.932 83.1 -98.4-126.2 154.3 -16.4 52.3 -12.0 660 733 A P - 0 0 110 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.347 56.9 -85.4 -62.6 149.7 -14.2 49.2 -12.0 661 734 A D - 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