==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAR-11 3R38 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR A.S.HALAVATY,G.MINASOV,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,S.PE . 438 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 1 1 1 1 2 2 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 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 PARALLEL BRIDGES PER LADDER . 1 1 1 4 6 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 . 1 0 6 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 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 -9 A T 0 0 156 0, 0.0 78,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -26.3 11.3 10.9 30.6 2 -8 A E - 0 0 86 76,-0.1 76,-0.2 1,-0.1 2,-0.1 -0.264 360.0-103.4 -59.5 142.9 12.1 14.3 32.2 3 -7 A N - 0 0 39 74,-3.0 2,-0.4 76,-0.1 -1,-0.1 -0.421 33.3-146.3 -69.7 142.7 13.7 16.9 30.0 4 -6 A L - 0 0 116 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.0 -0.876 5.0-137.2-111.8 142.6 17.4 17.5 30.5 5 -5 A Y - 0 0 120 -2,-0.4 2,-0.5 54,-0.0 53,-0.0 -0.886 18.9-157.0-100.7 123.9 19.1 20.8 30.1 6 -4 A F - 0 0 159 -2,-0.6 2,-0.0 1,-0.0 -2,-0.0 -0.888 11.1-133.0-108.5 128.6 22.4 20.6 28.3 7 -3 A Q - 0 0 163 -2,-0.5 2,-0.3 1,-0.1 3,-0.0 -0.311 20.0-135.6 -65.4 155.6 25.1 23.2 28.7 8 -2 A S - 0 0 43 4,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.735 29.8 -95.2-109.8 162.5 26.7 24.5 25.5 9 -1 A N > - 0 0 83 -2,-0.3 3,-0.9 1,-0.1 -1,-0.0 -0.573 44.4-103.3 -80.1 145.5 30.4 24.9 25.2 10 0 A A T 3 S+ 0 0 72 1,-0.2 417,-0.3 -2,-0.2 -1,-0.1 -0.329 100.6 20.5 -65.7 146.8 31.9 28.4 25.9 11 1 A M T 3 S+ 0 0 140 1,-0.2 -1,-0.2 415,-0.1 2,-0.1 0.742 79.8 161.2 68.1 26.7 32.9 30.5 22.9 12 2 A E < - 0 0 38 -3,-0.9 389,-0.5 414,-0.1 2,-0.3 -0.384 26.4-141.4 -71.8 158.8 30.8 28.6 20.3 13 3 A K E -A 425 0A 21 412,-3.2 412,-2.4 386,-0.1 2,-0.6 -0.946 17.3-149.5-130.4 151.1 30.2 30.6 17.1 14 4 A I E -AB 424 398A 0 384,-2.0 384,-3.0 -2,-0.3 2,-0.5 -0.978 22.9-163.5-113.4 117.1 27.5 31.1 14.5 15 5 A I E -AB 423 397A 0 408,-3.0 408,-2.0 -2,-0.6 2,-0.4 -0.933 5.2-169.0-108.3 124.1 29.0 31.8 11.1 16 6 A V E -AB 422 396A 0 380,-2.6 380,-2.6 -2,-0.5 2,-0.7 -0.932 14.2-159.2-117.9 135.6 26.9 33.3 8.5 17 7 A R E -AB 421 395A 95 404,-2.7 404,-0.6 -2,-0.4 3,-0.4 -0.945 26.2-143.3-111.3 106.5 27.6 33.7 4.8 18 8 A G + 0 0 11 376,-1.6 376,-0.3 -2,-0.7 373,-0.2 -0.159 67.5 70.6 -68.4 162.9 25.4 36.5 3.4 19 9 A G + 0 0 67 371,-2.3 2,-0.4 1,-0.3 -1,-0.2 0.225 64.7 123.3 115.7 -10.9 23.8 36.6 0.0 20 10 A K - 0 0 92 -3,-0.4 2,-0.4 370,-0.4 -1,-0.3 -0.681 54.5-136.1 -92.4 136.5 21.1 33.9 0.4 21 11 A Q - 0 0 107 -2,-0.4 2,-0.4 398,-0.1 236,-0.1 -0.720 23.0-129.7 -85.6 130.9 17.4 34.6 -0.1 22 12 A L + 0 0 0 -2,-0.4 237,-2.2 230,-0.3 2,-0.3 -0.715 34.0 166.4 -89.4 131.4 15.2 32.9 2.5 23 13 A N E +d 259 0B 73 395,-2.1 2,-0.3 -2,-0.4 237,-0.2 -0.990 32.2 42.3-144.8 131.1 12.2 30.8 1.3 24 14 A G E S-d 260 0B 35 235,-1.9 237,-2.7 -2,-0.3 2,-0.3 -0.987 77.9 -45.5 144.2-151.1 10.0 28.4 3.2 25 15 A S E -d 261 0B 53 -2,-0.3 2,-0.4 235,-0.2 237,-0.2 -0.938 35.8-171.2-129.4 147.8 8.1 27.8 6.4 26 16 A V E -d 262 0B 8 235,-2.4 237,-2.6 -2,-0.3 2,-0.3 -0.985 12.4-146.0-143.8 131.5 9.0 28.3 10.1 27 17 A K E -d 263 0B 138 -2,-0.4 2,-0.3 235,-0.2 237,-0.1 -0.759 15.4-139.0 -98.0 139.7 7.2 27.3 13.2 28 18 A M - 0 0 9 235,-1.0 2,-0.1 -2,-0.3 3,-0.1 -0.776 9.5-145.9-100.3 143.9 7.2 29.4 16.4 29 19 A E - 0 0 46 -2,-0.3 213,-2.1 1,-0.2 216,-0.1 -0.286 42.2 -65.4 -93.5-178.0 7.5 28.1 20.0 30 20 A G B -G 241 0C 2 24,-0.3 2,-0.2 211,-0.2 -1,-0.2 -0.324 59.5 -98.9 -68.1 153.1 5.9 29.5 23.2 31 21 A A >> - 0 0 0 209,-2.2 4,-2.3 1,-0.2 3,-0.6 -0.527 16.9-150.7 -76.1 136.4 7.0 32.9 24.4 32 22 A K H 3> S+ 0 0 27 1,-0.2 4,-1.7 -2,-0.2 -1,-0.2 0.901 100.7 58.9 -70.0 -39.7 9.6 33.1 27.2 33 23 A N H 34 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.604 113.7 38.9 -63.4 -12.3 8.1 36.4 28.3 34 24 A A H <> S+ 0 0 2 -3,-0.6 4,-1.7 206,-0.1 -2,-0.2 0.786 109.8 56.3-105.7 -38.2 4.8 34.5 28.7 35 25 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.851 98.9 57.5 -66.8 -39.9 5.8 31.2 30.2 36 26 A L H X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.952 111.1 42.0 -59.8 -51.0 7.7 32.4 33.3 37 27 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.911 114.0 53.0 -62.5 -39.6 4.8 34.3 34.7 38 28 A V H X S+ 0 0 2 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.927 110.5 47.1 -60.1 -45.3 2.4 31.5 33.8 39 29 A I H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 4,-0.4 0.931 112.0 50.0 -61.5 -45.6 4.6 29.0 35.7 40 30 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.899 103.6 61.3 -59.3 -39.7 4.9 31.2 38.7 41 31 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 4,-0.4 0.737 85.2 75.6 -60.6 -23.9 1.1 31.6 38.6 42 32 A T G X< S+ 0 0 0 -3,-1.1 3,-1.2 -4,-0.8 -1,-0.3 0.775 80.7 72.1 -61.7 -22.3 0.7 27.9 39.2 43 33 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.688 87.3 64.4 -63.9 -20.7 1.7 28.6 42.9 44 34 A L G < S+ 0 0 1 -3,-2.0 2,-1.0 -4,-0.2 188,-0.7 0.740 79.6 94.1 -74.3 -25.3 -1.8 30.2 43.3 45 35 A A E < +h 232 0D 2 -3,-1.2 41,-0.3 -4,-0.4 188,-0.2 -0.580 43.8 172.9 -76.5 100.3 -3.6 26.9 42.7 46 36 A S E S+ 0 0 33 186,-1.2 2,-0.3 -2,-1.0 -1,-0.2 0.514 70.0 48.5 -83.0 -6.3 -4.3 25.2 46.1 47 37 A K E S+h 233 0D 113 185,-0.9 187,-3.5 -3,-0.0 39,-0.1 -0.989 102.0 4.8-135.7 144.7 -6.4 22.5 44.4 48 38 A G S S- 0 0 38 -2,-0.3 38,-0.5 185,-0.2 2,-0.4 -0.069 82.0 -76.2 78.2 179.9 -5.7 20.3 41.3 49 39 A T - 0 0 64 36,-0.1 2,-0.2 185,-0.1 36,-0.2 -0.981 39.8-130.8-121.6 127.7 -2.7 19.9 39.1 50 40 A S E -I 84 0E 1 34,-2.8 34,-2.3 -2,-0.4 2,-0.5 -0.549 14.9-162.2 -79.6 140.8 -1.7 22.5 36.5 51 41 A V E -Ij 83 236E 22 184,-2.1 186,-2.4 -2,-0.2 2,-0.4 -0.957 7.4-172.4-125.9 108.3 -0.9 21.4 33.0 52 42 A L E -Ij 82 237E 0 30,-3.4 30,-2.3 -2,-0.5 2,-0.3 -0.870 7.5-169.4-102.4 133.2 1.0 23.9 30.9 53 43 A K E + j 0 238E 85 184,-2.8 186,-2.7 -2,-0.4 28,-0.2 -0.794 60.0 36.3-120.4 166.2 1.5 23.2 27.2 54 44 A N S S+ 0 0 47 26,-0.3 -24,-0.3 -2,-0.3 27,-0.2 0.835 74.5 166.9 62.8 35.8 3.6 24.7 24.4 55 45 A V - 0 0 4 25,-3.1 -1,-0.2 -3,-0.2 -23,-0.1 -0.732 32.5-126.7 -84.5 122.6 6.4 25.4 26.9 56 46 A P - 0 0 6 0, 0.0 2,-1.5 0, 0.0 5,-0.1 -0.308 17.6-113.3 -70.2 151.2 9.7 26.3 25.2 57 47 A N + 0 0 79 4,-0.1 2,-0.3 3,-0.0 23,-0.1 -0.652 64.7 140.8 -86.0 84.0 12.9 24.4 25.9 58 48 A L >> - 0 0 8 -2,-1.5 4,-1.5 1,-0.1 3,-1.1 -0.949 62.5-117.4-130.7 151.9 14.8 27.3 27.5 59 49 A S H 3> S+ 0 0 28 346,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.875 111.7 55.9 -50.8 -49.6 17.2 27.7 30.5 60 50 A D H 3> S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.794 102.9 57.0 -58.4 -28.9 14.9 30.0 32.5 61 51 A V H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.957 108.9 44.7 -66.8 -49.3 12.1 27.4 32.3 62 52 A F H X S+ 0 0 30 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.906 115.3 49.8 -59.4 -41.4 14.4 24.8 34.0 63 53 A T H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 3,-0.2 0.957 110.4 47.3 -63.6 -51.3 15.5 27.4 36.5 64 54 A I H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.915 109.5 55.9 -58.0 -41.9 12.0 28.5 37.4 65 55 A N H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.906 106.3 50.3 -57.9 -40.4 11.0 24.9 37.8 66 56 A E H X S+ 0 0 91 -4,-1.8 4,-1.8 -3,-0.2 -1,-0.2 0.895 109.0 52.3 -65.2 -37.8 13.8 24.4 40.3 67 57 A V H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.968 109.2 48.7 -62.5 -51.9 12.6 27.4 42.2 68 58 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 -1,-0.2 0.886 108.5 53.7 -55.4 -40.6 9.1 26.1 42.4 69 59 A K H ><5S+ 0 0 86 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.891 109.1 49.3 -61.6 -37.5 10.3 22.7 43.6 70 60 A Y H 3<5S+ 0 0 111 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.800 103.0 59.7 -71.2 -27.0 12.2 24.5 46.4 71 61 A L T 3<5S- 0 0 0 -4,-1.7 20,-2.0 -5,-0.1 -1,-0.3 0.357 129.7-101.0 -80.0 6.7 9.0 26.4 47.2 72 62 A N T < 5S+ 0 0 77 -3,-1.2 2,-0.3 1,-0.3 16,-0.2 0.707 80.5 132.7 80.7 28.2 7.6 22.8 47.8 73 63 A A < - 0 0 2 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.794 57.8-123.9-104.6 149.5 5.7 22.3 44.6 74 64 A D E -K 85 0E 105 11,-2.5 11,-2.7 -2,-0.3 2,-0.4 -0.857 36.4-175.0 -94.2 118.3 6.0 19.1 42.5 75 65 A V E -K 84 0E 19 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.912 12.7-177.9-119.6 145.1 7.1 20.1 39.0 76 66 A S E -K 83 0E 33 7,-2.1 7,-2.8 -2,-0.4 2,-0.4 -0.998 5.6-169.4-139.9 138.5 7.5 18.0 35.9 77 67 A F E +K 82 0E 5 -2,-0.4 -74,-3.0 5,-0.2 2,-0.4 -0.916 15.9 161.0-136.4 105.8 8.7 19.0 32.5 78 68 A V E > -K 81 0E 33 3,-2.4 3,-2.4 -2,-0.4 -76,-0.1 -0.994 64.9 -38.3-126.4 129.0 8.4 16.6 29.6 79 69 A N T 3 S- 0 0 122 -2,-0.4 -76,-0.1 -78,-0.3 0, 0.0 -0.366 124.7 -26.2 56.0-126.4 8.6 17.6 25.9 80 70 A D T 3 S+ 0 0 82 -2,-0.1 -25,-3.1 -23,-0.1 2,-0.4 0.097 120.5 95.9-105.5 25.3 6.7 20.9 25.7 81 71 A E E < - K 0 78E 77 -3,-2.4 -3,-2.4 -28,-0.2 2,-0.4 -0.952 50.6-168.7-123.4 130.4 4.5 20.2 28.7 82 72 A V E -IK 52 77E 0 -30,-2.3 -30,-3.4 -2,-0.4 2,-0.4 -0.946 6.5-161.6-115.5 134.2 5.0 21.3 32.3 83 73 A T E -IK 51 76E 40 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.4 -0.953 5.9-169.4-116.6 135.8 2.9 19.9 35.2 84 74 A V E -IK 50 75E 0 -34,-2.3 -34,-2.8 -2,-0.4 2,-0.7 -0.979 12.5-172.4-132.3 124.4 2.7 21.6 38.5 85 75 A D E + K 0 74E 47 -11,-2.7 -11,-2.5 -2,-0.4 3,-0.3 -0.918 18.0 160.1-113.3 101.0 1.2 20.2 41.8 86 76 A A + 0 0 2 -2,-0.7 4,-0.2 -38,-0.5 -1,-0.1 -0.052 37.7 111.5-110.9 29.2 1.1 23.1 44.3 87 77 A T + 0 0 66 -39,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.646 60.7 84.6 -76.7 -16.6 -1.5 21.6 46.6 88 78 A G S S- 0 0 32 -3,-0.3 2,-0.8 -16,-0.2 -15,-0.0 -0.012 104.1 -66.4 -74.8-173.6 1.0 21.1 49.4 89 79 A E - 0 0 167 1,-0.0 2,-0.3 -16,-0.0 -1,-0.2 -0.682 59.1-144.0 -77.6 109.9 2.1 23.6 52.0 90 80 A I - 0 0 14 -2,-0.8 -18,-0.2 -4,-0.2 2,-0.1 -0.629 7.7-146.3 -84.2 132.2 4.0 26.2 49.9 91 81 A T - 0 0 62 -20,-2.0 25,-0.1 -2,-0.3 27,-0.1 -0.299 4.8-141.7 -85.7 176.4 7.1 27.9 51.3 92 82 A S + 0 0 22 -2,-0.1 28,-1.8 24,-0.1 2,-0.4 0.244 60.4 98.3-129.1 18.6 8.1 31.5 50.6 93 83 A D E +l 120 0F 51 26,-0.2 28,-0.2 -23,-0.2 -2,-0.1 -0.919 28.0 167.0-118.2 132.5 11.9 31.7 50.3 94 84 A A E +l 121 0F 1 26,-2.3 28,-1.9 -2,-0.4 14,-0.1 -0.691 26.2 143.2-135.8 78.6 14.0 31.7 47.0 95 85 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.520 20.8 119.4-104.8 -3.0 17.5 32.8 48.2 96 86 A F S >> S- 0 0 81 1,-0.1 3,-1.7 3,-0.1 4,-0.9 -0.166 70.4-116.8 -68.9 154.6 20.1 30.9 46.3 97 87 A E H >> S+ 0 0 138 1,-0.3 4,-1.4 2,-0.2 3,-0.7 0.851 116.1 61.9 -55.5 -34.3 22.8 32.6 44.1 98 88 A Y H 3> S+ 0 0 74 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.763 96.2 61.6 -66.4 -20.8 21.3 30.8 41.1 99 89 A V H X4 S+ 0 0 2 -3,-1.7 3,-0.6 1,-0.2 6,-0.3 0.881 101.5 51.8 -70.7 -34.0 18.1 32.8 41.8 100 90 A R H << S+ 0 0 53 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.860 99.6 62.4 -68.1 -38.0 20.1 36.0 41.3 101 91 A K H 3< S+ 0 0 114 -4,-1.4 2,-0.9 1,-0.2 -1,-0.2 0.727 94.7 68.4 -60.9 -24.1 21.4 35.0 37.9 102 92 A M X< - 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T 0 363I 2 33,-2.3 33,-2.6 -2,-0.1 2,-0.4 -0.911 23.6-129.2-148.0 174.2 16.3 57.2 9.3 331 322 A I E - T 0 362I 42 -2,-0.3 -28,-3.0 31,-0.2 2,-0.5 -0.996 5.7-160.0-139.1 140.6 16.0 57.3 13.1 332 323 A M E -sT 303 361I 0 29,-1.8 29,-2.4 -2,-0.4 2,-0.4 -0.972 17.7-172.0-116.3 127.3 15.3 54.8 15.8 333 324 A T E -sT 304 360I 19 -30,-2.3 -28,-3.3 -2,-0.5 2,-0.4 -0.970 12.2-151.2-127.5 138.5 14.2 56.1 19.2 334 325 A E + 0 0 0 25,-2.5 -28,-0.1 -2,-0.4 4,-0.1 -0.907 25.1 160.4-107.0 131.6 13.7 54.4 22.6 335 326 A T S S+ 0 0 48 -2,-0.4 3,-0.2 -30,-0.1 -1,-0.1 0.387 81.9 48.3-121.4 -10.5 11.1 55.6 25.1 336 327 A V S S+ 0 0 28 1,-0.2 2,-0.4 -30,-0.1 -2,-0.1 0.899 129.7 11.4 -94.5 -57.9 11.0 52.3 27.0 337 328 A F > - 0 0 36 1,-0.1 3,-1.9 22,-0.1 -1,-0.2 -0.812 69.7-174.4-125.2 87.9 14.7 51.4 27.5 338 329 A E T 3 S+ 0 0 90 -2,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.554 81.4 50.1 -59.9 -12.8 16.6 54.5 26.6 339 330 A N T 3 S+ 0 0 84 1,-0.1 2,-2.6 20,-0.0 3,-0.3 0.363 73.0 115.1-108.0 3.1 20.1 52.9 27.0 340 331 A R < + 0 0 34 -3,-1.9 -1,-0.1 1,-0.2 -3,-0.1 -0.290 44.7 97.7 -75.8 64.4 19.4 49.8 24.9 341 332 A F > + 0 0 11 -2,-2.6 3,-1.7 1,-0.1 4,-0.4 0.063 32.9 120.7-135.3 26.5 21.9 50.5 22.2 342 333 A M T 3 S+ 0 0 127 -3,-0.3 4,-0.4 1,-0.3 3,-0.3 0.678 71.8 64.1 -66.1 -16.2 25.0 48.4 23.2 343 334 A H T 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.568 79.2 83.5 -83.5 -11.2 24.7 46.6 19.9 344 335 A V H <> S+ 0 0 0 -3,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.904 87.4 52.5 -60.5 -42.3 25.5 49.8 17.8 345 336 A E H > S+ 0 0 107 -4,-0.4 4,-1.1 -3,-0.3 -1,-0.2 0.842 109.5 50.5 -64.0 -31.3 29.3 49.4 18.2 346 337 A E H > S+ 0 0 37 -4,-0.4 4,-0.6 -3,-0.2 -1,-0.2 0.883 106.8 53.1 -73.9 -38.5 29.1 45.8 17.0 347 338 A M H ><>S+ 0 0 1 -4,-2.0 5,-1.7 1,-0.2 3,-0.7 0.822 102.5 60.2 -66.2 -29.1 27.0 46.8 13.9 348 339 A R H ><5S+ 0 0 88 -4,-1.5 3,-2.9 1,-0.3 -1,-0.2 0.898 94.4 61.9 -63.4 -40.8 29.7 49.4 13.0 349 340 A R H 3<5S+ 0 0 140 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.792 99.8 56.8 -55.3 -26.4 32.3 46.6 12.8 350 341 A M T <<5S- 0 0 1 -3,-0.7 20,-2.9 -4,-0.6 -1,-0.3 0.192 133.0 -95.6 -90.1 16.1 30.1 45.3 10.0 351 342 A N T < 5S+ 0 0 81 -3,-2.9 17,-0.3 1,-0.2 -3,-0.2 0.619 73.0 155.7 81.2 16.1 30.5 48.7 8.2 352 343 A A < - 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0 0 13 -43,-2.5 2,-1.2 -41,-0.1 -15,-0.1 -0.731 25.5-139.5 -97.7 140.6 24.8 50.5 4.2 368 359 A K - 0 0 144 -2,-0.3 24,-0.1 -17,-0.3 -43,-0.0 -0.730 32.5-148.5 -97.0 83.2 27.0 48.0 2.5 369 360 A L - 0 0 6 -2,-1.2 24,-2.3 22,-0.1 2,-0.4 -0.178 10.0-156.0 -55.6 140.4 27.4 45.6 5.4 370 361 A Q B -w 393 0K 74 -20,-2.9 24,-0.2 22,-0.3 -18,-0.1 -0.940 23.2-104.4-122.4 143.6 30.7 43.6 5.7 371 362 A G + 0 0 27 22,-1.9 2,-0.3 -2,-0.4 25,-0.3 -0.391 53.3 150.2 -66.4 139.1 31.3 40.3 7.5 372 363 A A - 0 0 20 22,-0.1 25,-2.2 -2,-0.1 2,-0.8 -0.939 52.9 -83.0-158.3 175.0 33.2 40.6 10.7 373 364 A E E +c 397 0A 100 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.827 54.2 177.7 -91.8 113.7 33.7 39.1 14.2 374 365 A V E -c 398 0A 2 23,-2.9 25,-2.4 -2,-0.8 2,-0.5 -0.913 23.6-141.9-122.4 147.2 30.9 40.4 16.4 375 366 A A E -c 399 0A 28 -2,-0.4 25,-0.2 23,-0.2 -29,-0.1 -0.922 22.0-125.8-109.9 123.6 29.9 39.8 20.0 376 367 A A - 0 0 4 23,-2.1 3,-0.1 -2,-0.5 27,-0.1 -0.370 18.0-167.0 -63.0 145.2 26.3 39.6 21.0 377 368 A T - 0 0 39 1,-0.4 2,-0.3 26,-0.0 -1,-0.1 0.539 65.5 -13.2-110.6 -14.3 25.5 42.0 23.8 378 369 A D S > S- 0 0 32 1,-0.1 4,-2.7 22,-0.0 -1,-0.4 -0.965 83.4 -75.0-174.8 169.5 22.0 40.6 24.7 379 370 A L H > S+ 0 0 19 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 0.902 125.6 34.6 -41.7 -67.0 19.2 38.3 23.6 380 371 A R H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.810 116.5 56.8 -65.3 -30.8 17.6 40.4 20.8 381 372 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 100.5 58.6 -67.9 -37.6 21.0 41.9 19.8 382 373 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.940 110.7 41.5 -55.5 -49.7 22.3 38.3 19.2 383 374 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.862 110.0 59.2 -66.8 -37.3 19.6 37.7 16.6 384 375 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.921 105.8 47.9 -58.3 -45.2 20.0 41.2 15.2 385 376 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 109.5 52.7 -64.3 -39.0 23.7 40.5 14.4 386 377 A I H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.875 108.5 51.1 -64.8 -36.1 22.8 37.2 12.8 387 378 A L H >X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.6 0.912 107.8 51.8 -66.6 -41.4 20.2 39.0 10.6 388 379 A A H >X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 3,-1.1 0.910 104.7 58.5 -60.5 -38.4 22.9 41.5 9.6 389 380 A G H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.822 95.3 63.1 -59.4 -33.2 25.1 38.5 8.6 390 381 A L H << S+ 0 0 6 -4,-1.1 -371,-2.3 -3,-0.6 -370,-0.4 0.805 115.1 31.8 -62.4 -29.6 22.4 37.3 6.2 391 382 A V H << S+ 0 0 46 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.601 96.3 106.8-104.0 -15.9 22.9 40.5 4.2 392 383 A A S < S- 0 0 1 -4,-1.7 2,-0.8 -5,-0.1 -374,-0.4 -0.293 76.2-112.6 -67.8 149.8 26.6 41.2 4.8 393 384 A D B S-w 370 0K 120 -24,-2.3 -22,-1.9 -376,-0.1 2,-0.3 -0.747 85.1 -6.0 -83.8 110.7 29.2 40.6 2.1 394 385 A G S S- 0 0 19 -2,-0.8 -376,-1.6 -376,-0.3 2,-0.5 -0.745 109.5 -21.2 109.3-154.0 31.3 37.7 3.3 395 386 A Y E -B 17 0A 61 -2,-0.3 2,-0.5 -378,-0.2 -378,-0.2 -0.853 46.8-163.6-107.0 130.5 31.4 35.8 6.6 396 387 A T E -B 16 0A 0 -380,-2.6 -380,-2.6 -2,-0.5 2,-0.6 -0.936 5.7-158.6-111.0 127.7 30.1 37.1 9.9 397 388 A Q E -Bc 15 373A 10 -25,-2.2 -23,-2.9 -2,-0.5 2,-0.5 -0.940 8.0-165.4-111.0 116.9 31.2 35.3 13.1 398 389 A V E +Bc 14 374A 0 -384,-3.0 -384,-2.0 -2,-0.6 -23,-0.2 -0.908 10.0 179.0-108.3 123.7 28.9 35.8 16.0 399 390 A T E + c 0 375A 35 -25,-2.4 -23,-2.1 -2,-0.5 -386,-0.1 -0.513 52.5 61.7-110.7-179.3 30.0 35.0 19.5 400 391 A E > + 0 0 86 -388,-0.3 3,-1.5 -25,-0.2 4,-0.5 0.880 55.8 168.4 66.0 41.7 28.5 35.2 23.0 401 392 A L T 3> + 0 0 6 -389,-0.5 4,-2.5 1,-0.3 5,-0.2 0.601 55.8 88.2 -62.5 -12.0 25.7 32.8 22.0 402 393 A K H 3> S+ 0 0 121 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.936 88.7 51.4 -54.1 -41.7 24.7 32.4 25.6 403 394 A Y H X4 S+ 0 0 54 -3,-1.5 3,-0.9 1,-0.2 4,-0.3 0.900 108.0 50.3 -61.1 -43.0 22.4 35.4 25.0 404 395 A L H >> S+ 0 0 2 -4,-0.5 4,-1.7 1,-0.2 3,-1.7 0.927 106.3 56.0 -60.4 -45.9 20.9 33.9 21.8 405 396 A D H 3< S+ 0 0 40 -4,-2.5 -346,-0.4 1,-0.3 -1,-0.2 0.639 91.0 74.1 -63.3 -14.9 20.1 30.7 23.6 406 397 A R T << S+ 0 0 109 -3,-0.9 -1,-0.3 -4,-0.7 -346,-0.2 0.646 120.6 5.5 -76.6 -10.9 18.1 32.5 26.3 407 398 A G T <4 S+ 0 0 5 -3,-1.7 2,-0.4 -4,-0.3 -2,-0.2 0.411 117.0 70.0-149.6 -3.4 15.2 33.1 23.9 408 399 A Y < - 0 0 5 -4,-1.7 2,-0.5 -5,-0.1 3,-0.3 -0.984 58.0-155.9-128.1 125.8 15.7 31.3 20.6 409 400 A N S S- 0 0 64 -2,-0.4 5,-0.1 1,-0.2 -380,-0.1 -0.850 77.4 -16.0-101.6 131.9 15.7 27.6 20.1 410 401 A N S > S+ 0 0 80 -2,-0.5 4,-1.9 1,-0.1 -1,-0.2 0.874 79.2 163.4 43.0 50.9 17.5 26.0 17.2 411 402 A F H > S+ 0 0 4 -3,-0.3 4,-1.7 1,-0.2 5,-0.1 0.904 71.3 47.8 -64.7 -41.0 17.7 29.4 15.6 412 403 A H H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 109.3 53.4 -67.7 -40.7 20.5 28.4 13.1 413 404 A G H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 108.0 50.5 -61.8 -40.3 18.6 25.2 12.1 414 405 A K H X S+ 0 0 25 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.901 110.9 48.4 -65.6 -40.7 15.5 27.2 11.2 415 406 A L H ><>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 3,-1.0 0.907 109.4 53.0 -66.1 -40.9 17.5 29.6 9.1 416 407 A Q H ><5S+ 0 0 72 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.931 104.8 55.7 -58.8 -43.8 19.2 26.7 7.4 417 408 A A H 3<5S+ 0 0 80 -4,-2.2 -1,-0.3 1,-0.3 -392,-0.2 0.693 103.1 56.0 -61.8 -20.7 15.8 25.2 6.6 418 409 A L T <<5S- 0 0 3 -3,-1.0 -395,-2.1 -4,-0.7 -1,-0.3 0.338 129.6 -98.1 -92.1 4.3 15.0 28.6 4.9 419 410 A G T < 5S+ 0 0 43 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.623 74.1 148.0 89.9 17.2 18.0 28.1 2.7 420 411 A A < - 0 0 8 -5,-2.2 2,-1.4 -6,-0.1 -1,-0.3 -0.572 53.4-124.9 -86.8 147.4 20.5 30.3 4.6 421 412 A D E +A 17 0A 42 -404,-0.6 -404,-2.7 -2,-0.2 2,-0.4 -0.718 60.5 137.7 -90.2 86.0 24.2 29.6 4.7 422 413 A V E +A 16 0A 1 -2,-1.4 2,-0.3 -406,-0.2 -406,-0.2 -0.995 26.8 178.6-135.2 140.9 24.5 29.5 8.5 423 414 A E E -A 15 0A 58 -408,-2.0 -408,-3.0 -2,-0.4 2,-0.6 -0.993 20.1-148.8-143.2 146.3 26.4 27.1 10.8 424 415 A R E +A 14 0A 53 -2,-0.3 2,-0.3 -410,-0.2 -410,-0.2 -0.964 33.7 165.5-117.4 111.8 26.9 26.8 14.6 425 416 A V E -A 13 0A 18 -412,-2.4 -412,-3.2 -2,-0.6 2,-0.1 -0.831 39.9-101.6-127.1 163.8 30.3 25.4 15.4 426 417 A D >> - 0 0 46 -2,-0.3 3,-1.4 -414,-0.2 4,-1.0 -0.491 38.6-114.7 -77.8 153.9 32.7 25.0 18.3 427 418 A D T 34 S+ 0 0 72 -417,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.865 114.7 60.0 -58.9 -35.7 35.6 27.4 18.4 428 419 A S T 34 S+ 0 0 100 1,-0.2 -1,-0.3 3,-0.0 -416,-0.0 0.645 100.3 55.5 -68.0 -17.1 38.1 24.5 17.9 429 420 A K T <4 S+ 0 0 135 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 0.808 91.0 90.6 -83.8 -31.8 36.5 23.6 14.6 430 421 A V < - 0 0 16 -4,-1.0 2,-0.6 -3,-0.4 5,-0.1 -0.509 47.7-177.0 -77.6 125.2 36.9 27.0 13.0 431 422 A D > - 0 0 110 -2,-0.3 3,-3.4 3,-0.3 6,-0.2 -0.892 16.9-154.8-119.3 93.1 40.0 28.0 11.0 432 423 A V G > S+ 0 0 86 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.735 90.8 64.4 -38.7 -35.5 39.4 31.7 10.2 433 424 A T G 3 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.483 115.9 29.5 -73.0 -0.4 41.6 31.4 7.1 434 425 A N G X + 0 0 85 -3,-3.4 3,-0.7 1,-0.0 4,-0.3 -0.274 62.8 144.6-156.5 61.6 39.1 29.0 5.6 435 426 A L G X S+ 0 0 15 -3,-0.7 3,-1.6 1,-0.2 -3,-0.1 0.800 71.5 72.1 -70.0 -27.9 35.6 29.5 6.8 436 427 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.827 81.2 74.1 -55.0 -33.2 34.4 28.5 3.3 437 428 A S G < S+ 0 0 88 -3,-0.7 -1,-0.3 -6,-0.2 -2,-0.2 0.875 90.8 67.2 -47.2 -42.9 35.4 25.0 4.4 438 429 A L < 0 0 29 -3,-1.6 -15,-0.0 -4,-0.3 -8,-0.0 -0.050 360.0 360.0 -69.5 179.5 32.3 25.0 6.6 439 430 A F 0 0 106 -17,-0.0 -18,-0.1 0, 0.0 -16,-0.0 0.133 360.0 360.0 76.2 360.0 28.8 25.0 5.0