==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 04-JAN-12 3VCY . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; . AUTHOR D.C.BENSEN,S.RODRIGUEZ,J.NIX,M.L.CUNNINGHAM,L.W.TARI . 1676 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1248 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 160 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.7 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 5 0 7 4 5 6 9 4 6 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 8 8 8 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 . 4 4 4 15 25 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 . 0 0 24 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 1 A M 0 0 102 0, 0.0 391,-0.1 0, 0.0 416,-0.0 0.000 360.0 360.0 360.0 94.6 -20.9 -1.4 40.7 2 2 A D - 0 0 42 389,-0.1 391,-1.0 416,-0.1 390,-0.7 -0.201 360.0-166.1 -57.9 152.2 -19.9 -5.0 41.2 3 3 A K E -AB 391 417A 76 414,-2.0 414,-2.5 388,-0.2 2,-0.5 -0.940 19.9-124.7-136.0 158.7 -16.6 -5.8 42.8 4 4 A F E -AB 390 416A 0 386,-3.2 386,-2.5 -2,-0.3 2,-0.6 -0.948 19.1-164.5-103.4 127.8 -14.4 -8.8 43.2 5 5 A R E -AB 389 415A 76 410,-2.7 410,-3.1 -2,-0.5 2,-0.4 -0.974 16.5-174.5-108.7 121.0 -13.5 -9.7 46.8 6 6 A I E -AB 388 414A 0 382,-2.8 382,-2.1 -2,-0.6 2,-0.7 -0.954 23.7-152.1-124.6 132.0 -10.6 -12.2 46.7 7 7 A Q E -AB 387 413A 65 406,-3.0 406,-0.7 -2,-0.4 380,-0.2 -0.911 29.7-138.6-100.6 114.3 -8.8 -14.1 49.5 8 8 A G - 0 0 21 378,-3.0 378,-0.4 -2,-0.7 2,-0.3 -0.309 22.7-175.2 -77.0 154.1 -5.3 -14.7 48.4 9 9 A S - 0 0 58 373,-2.6 376,-0.0 2,-0.1 403,-0.0 -0.983 35.0-141.4-143.6 157.0 -3.4 -18.0 48.9 10 10 A D S S+ 0 0 111 -2,-0.3 3,-0.1 2,-0.1 373,-0.1 0.519 75.3 107.6 -91.6 -7.3 0.0 -19.5 48.4 11 11 A K S S- 0 0 161 1,-0.1 -2,-0.1 400,-0.1 237,-0.1 -0.519 81.6-105.9 -67.1 130.7 -1.7 -22.8 47.4 12 12 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 235,-0.1 -0.181 24.4-116.1 -55.4 147.5 -1.3 -23.3 43.6 13 13 A L + 0 0 10 229,-0.3 2,-0.3 230,-0.2 236,-0.2 -0.812 52.8 163.2 -81.1 123.2 -4.3 -22.9 41.2 14 14 A S + 0 0 45 396,-1.9 2,-0.4 -2,-0.6 236,-0.2 -0.989 15.9 51.9-147.6 152.5 -4.9 -26.3 39.8 15 15 A G E S-d 250 0B 35 234,-2.1 236,-1.8 -2,-0.3 2,-0.3 -0.975 78.5 -34.9 130.7-138.9 -7.5 -28.4 37.9 16 16 A E E -d 251 0B 100 -2,-0.4 2,-0.3 393,-0.4 236,-0.2 -0.923 36.5-173.1-129.0 145.1 -9.5 -28.0 34.8 17 17 A V E -d 252 0B 5 234,-2.5 236,-3.1 -2,-0.3 2,-0.6 -0.986 20.0-138.2-133.3 148.0 -11.2 -25.1 32.9 18 18 A T E -d 253 0B 72 -2,-0.3 236,-0.2 234,-0.2 2,-0.2 -0.939 27.5-131.1-107.3 119.4 -13.4 -25.3 29.8 19 19 A I - 0 0 3 234,-3.0 2,-0.1 -2,-0.6 3,-0.1 -0.446 16.3-138.7 -76.1 135.7 -12.6 -22.6 27.4 20 20 A S - 0 0 16 -2,-0.2 212,-2.9 1,-0.1 215,-0.1 -0.365 34.2 -80.3 -82.4 169.1 -15.4 -20.4 25.9 21 21 A G B -G 231 0C 1 210,-0.3 210,-0.3 23,-0.2 2,-0.3 -0.315 63.6 -83.9 -65.1 153.4 -15.7 -19.2 22.2 22 22 A A >> - 0 0 0 208,-3.4 4,-3.0 1,-0.2 3,-1.1 -0.459 26.9-152.6 -67.2 123.0 -13.6 -16.2 21.4 23 23 A K H 3> S+ 0 0 27 376,-0.3 4,-2.4 -2,-0.3 -1,-0.2 0.924 100.1 55.9 -50.2 -46.0 -15.1 -12.8 22.3 24 24 A N H 34 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.483 114.0 38.3 -78.2 0.5 -13.1 -11.3 19.4 25 25 A A H <> S+ 0 0 0 -3,-1.1 4,-2.1 205,-0.2 5,-0.2 0.688 113.0 54.7-107.4 -43.7 -14.6 -13.8 16.9 26 26 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.918 106.9 52.7 -52.0 -47.7 -18.2 -13.8 18.3 27 27 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.940 112.6 39.8 -63.8 -53.0 -18.5 -10.0 18.1 28 28 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.894 114.7 54.4 -61.9 -40.0 -17.5 -9.5 14.4 29 29 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.935 107.6 50.8 -58.1 -46.1 -19.5 -12.6 13.4 30 30 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.887 112.9 45.3 -57.2 -43.5 -22.6 -11.1 15.1 31 31 A F H >< S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.877 108.6 56.9 -66.5 -34.8 -22.1 -7.9 13.2 32 32 A A H >< S+ 0 0 1 -4,-2.8 3,-2.3 1,-0.3 4,-0.3 0.788 90.9 72.8 -67.2 -25.8 -21.5 -9.9 9.9 33 33 A S G >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.672 76.9 78.5 -66.6 -10.6 -24.9 -11.5 10.4 34 34 A L G < S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.711 89.8 56.7 -63.7 -18.0 -26.3 -8.1 9.4 35 35 A L G < S+ 0 0 0 -3,-2.3 187,-0.7 -4,-0.1 2,-0.3 0.727 88.2 100.8 -78.9 -22.7 -25.5 -9.2 5.9 36 36 A A B < -h 222 0D 1 -3,-1.0 39,-0.3 -4,-0.3 187,-0.2 -0.446 46.4-175.1 -83.9 129.0 -27.6 -12.4 6.2 37 37 A E S S+ 0 0 62 185,-1.9 187,-0.2 186,-0.5 186,-0.2 0.679 72.2 49.6 -93.6 -17.5 -31.1 -12.6 4.7 38 38 A E S S- 0 0 95 185,-2.2 37,-0.4 184,-0.2 187,-0.1 -0.708 106.8 -64.1-117.4 167.7 -32.0 -16.1 6.1 39 39 A P - 0 0 89 0, 0.0 186,-1.1 0, 0.0 2,-0.4 -0.201 50.2-157.2 -59.9 143.8 -31.8 -17.4 9.7 40 40 A V E -Ij 73 225E 4 33,-2.9 33,-2.6 184,-0.2 2,-0.5 -0.951 9.5-161.9-122.6 137.2 -28.3 -17.7 11.3 41 41 A E E -Ij 72 226E 62 184,-2.9 186,-2.0 -2,-0.4 2,-0.6 -0.969 4.5-172.4-120.1 116.9 -27.1 -19.9 14.1 42 42 A V E -Ij 71 227E 0 29,-2.8 29,-2.3 -2,-0.5 3,-0.3 -0.926 15.8-163.0-106.2 106.9 -23.8 -19.0 15.8 43 43 A A E + j 0 228E 6 184,-3.0 186,-2.4 -2,-0.6 27,-0.2 -0.411 61.7 32.6 -89.8 167.3 -22.7 -21.7 18.3 44 44 A N S S+ 0 0 55 1,-0.2 -23,-0.2 184,-0.2 -1,-0.2 0.872 75.2 165.8 58.1 43.6 -20.2 -21.6 21.2 45 45 A V - 0 0 8 24,-1.7 -1,-0.2 -3,-0.3 -22,-0.1 -0.805 33.4-127.6 -94.5 123.0 -20.9 -18.0 22.0 46 46 A P - 0 0 5 0, 0.0 2,-0.9 0, 0.0 -1,-0.0 -0.229 19.0-116.1 -62.3 156.5 -19.6 -16.8 25.3 47 47 A K + 0 0 91 4,-0.1 355,-0.4 3,-0.0 2,-0.3 -0.851 59.5 143.9 -97.2 100.6 -21.9 -15.0 27.8 48 48 A L > - 0 0 4 -2,-0.9 4,-1.8 353,-0.1 350,-0.2 -0.912 61.8-118.0-138.5 151.4 -20.3 -11.6 28.0 49 49 A R H > S+ 0 0 113 348,-2.4 4,-2.6 -2,-0.3 349,-0.2 0.830 115.9 57.9 -69.1 -28.3 -21.8 -8.1 28.3 50 50 A D H > S+ 0 0 2 348,-0.6 4,-2.3 347,-0.3 -1,-0.2 0.869 105.0 51.3 -64.0 -35.4 -20.3 -7.1 24.9 51 51 A V H > S+ 0 0 0 347,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.925 111.2 48.5 -66.2 -39.5 -22.3 -10.1 23.4 52 52 A D H X S+ 0 0 72 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.894 111.0 49.3 -62.4 -42.2 -25.4 -8.6 25.2 53 53 A T H X S+ 0 0 26 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.891 111.6 50.0 -66.3 -38.7 -24.6 -5.1 23.8 54 54 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.927 109.8 49.2 -62.5 -50.3 -24.2 -6.6 20.3 55 55 A M H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.850 110.3 52.8 -56.7 -36.2 -27.5 -8.4 20.5 56 56 A E H X S+ 0 0 92 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.850 110.7 45.9 -72.8 -34.1 -29.2 -5.2 21.7 57 57 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 112.0 52.0 -67.0 -46.4 -27.8 -3.3 18.7 58 58 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-0.7 0.909 112.1 45.9 -54.6 -45.6 -28.9 -6.1 16.3 59 59 A K H ><5S+ 0 0 89 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.927 109.8 54.4 -64.8 -45.2 -32.4 -6.0 17.8 60 60 A R H 3<5S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.844 106.8 51.7 -54.9 -38.8 -32.4 -2.1 17.6 61 61 A L H 3<5S- 0 0 0 -4,-2.2 18,-2.4 -5,-0.1 19,-1.7 0.619 130.1 -94.7 -78.7 -14.3 -31.6 -2.3 13.8 62 62 A G T <<5S+ 0 0 23 -3,-1.0 15,-0.2 -4,-0.7 -3,-0.2 0.419 78.9 133.0 119.9 1.1 -34.4 -4.8 13.3 63 63 A A < - 0 0 3 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.4 -0.546 56.5-123.6 -77.5 145.2 -33.0 -8.3 13.5 64 64 A E E +K 74 0E 143 10,-2.8 10,-2.7 -2,-0.2 2,-0.3 -0.834 40.5 179.6 -87.0 124.6 -34.8 -10.9 15.6 65 65 A V E +K 73 0E 19 -2,-0.6 2,-0.3 8,-0.2 8,-0.2 -0.958 15.9 156.0-131.4 145.1 -32.3 -12.2 18.2 66 66 A S E -K 72 0E 71 6,-1.4 6,-2.9 -2,-0.3 2,-0.3 -0.962 18.3-160.4-155.4 161.5 -32.3 -14.7 21.0 67 67 A R E +K 71 0E 44 -2,-0.3 4,-0.2 4,-0.2 2,-0.1 -0.994 32.8 126.9-145.9 147.7 -29.7 -16.8 22.8 68 68 A N S S- 0 0 93 2,-2.3 -23,-0.1 -2,-0.3 -2,-0.0 -0.366 93.9 -11.9-137.5 -87.4 -28.4 -19.5 24.9 69 69 A G S S+ 0 0 59 -2,-0.1 -24,-1.7 -25,-0.1 2,-0.2 0.950 142.3 29.0 -63.1 -49.8 -25.6 -21.9 23.9 70 70 A S S S- 0 0 20 -27,-0.2 -2,-2.3 -26,-0.2 2,-0.4 -0.504 84.9-128.5 -92.8 166.9 -25.9 -20.6 20.4 71 71 A V E -IK 42 67E 0 -29,-2.3 -29,-2.8 -4,-0.2 2,-0.5 -0.976 21.7-151.5-113.2 137.4 -27.1 -17.1 19.3 72 72 A H E -IK 41 66E 85 -6,-2.9 -6,-1.4 -2,-0.4 2,-0.5 -0.954 13.5-174.2-115.2 122.8 -29.9 -17.1 16.7 73 73 A I E -IK 40 65E 4 -33,-2.6 -33,-2.9 -2,-0.5 2,-0.6 -0.967 17.7-176.9-122.3 127.0 -30.2 -14.2 14.3 74 74 A D E + K 0 64E 46 -10,-2.7 -10,-2.8 -2,-0.5 3,-0.4 -0.930 13.6 167.3-115.5 102.1 -32.9 -13.5 11.8 75 75 A A > + 0 0 1 -2,-0.6 3,-1.9 -37,-0.4 -1,-0.1 0.372 44.7 105.9 -97.8 1.6 -31.6 -10.4 10.0 76 76 A S T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -39,-0.2 -13,-0.1 0.836 83.3 47.1 -45.3 -39.8 -34.1 -10.5 7.1 77 77 A G T 3 S+ 0 0 37 -3,-0.4 -1,-0.3 -15,-0.2 -2,-0.1 0.314 71.6 146.1 -95.1 8.3 -36.1 -7.6 8.6 78 78 A V < + 0 0 9 -3,-1.9 -16,-0.3 1,-0.1 -17,-0.1 -0.213 11.4 161.3 -48.6 126.0 -33.3 -5.1 9.4 79 79 A N + 0 0 119 -18,-2.4 2,-0.3 1,-0.0 -17,-0.2 0.179 46.4 67.8-140.9 15.5 -34.9 -1.7 8.9 80 80 A D - 0 0 77 -19,-1.7 -1,-0.0 2,-0.0 -19,-0.0 -0.971 51.8-166.0-136.0 157.7 -32.7 0.8 10.7 81 81 A F + 0 0 28 -2,-0.3 28,-2.6 -3,-0.1 2,-0.4 0.057 49.3 100.3-137.6 24.0 -29.2 1.9 10.0 82 82 A C E -l 109 0F 29 26,-0.2 28,-0.2 -22,-0.1 63,-0.0 -0.938 47.8-158.5-119.9 135.5 -27.7 3.8 12.9 83 83 A A E -l 110 0F 0 26,-2.1 28,-1.9 -2,-0.4 5,-0.1 -0.922 37.5-135.8-105.0 103.2 -25.4 2.8 15.8 84 84 A P > - 0 0 24 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.111 14.6-112.8 -62.4 152.0 -26.2 5.5 18.4 85 85 A Y H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.832 116.5 55.7 -44.4 -44.7 -23.7 7.5 20.6 86 86 A D H > S+ 0 0 68 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.906 111.9 42.4 -62.3 -40.3 -25.0 5.7 23.7 87 87 A L H > S+ 0 0 13 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.902 113.0 50.2 -75.8 -42.4 -24.2 2.2 22.3 88 88 A V H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 106.9 56.2 -64.1 -35.3 -20.9 3.0 20.7 89 89 A K H < S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.3 3,-0.2 0.853 106.6 50.0 -67.7 -30.5 -19.6 4.6 24.0 90 90 A T H < S+ 0 0 60 -4,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.805 132.4 5.7 -75.6 -31.5 -20.4 1.4 25.8 91 91 A M >< - 0 0 2 -4,-1.5 3,-1.5 1,-0.1 -1,-0.3 -0.831 56.2-157.1-156.6 123.3 -18.5 -0.7 23.2 92 92 A R G > S+ 0 0 51 1,-0.3 3,-2.3 -2,-0.3 4,-0.2 0.677 85.1 82.2 -74.3 -16.5 -16.4 0.5 20.3 93 93 A A G > S+ 0 0 16 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.628 71.9 82.3 -58.0 -15.5 -16.9 -2.9 18.4 94 94 A S G X + 0 0 1 -3,-1.5 3,-1.9 1,-0.3 -1,-0.3 0.656 68.8 80.5 -63.5 -19.5 -20.2 -1.4 17.4 95 95 A I G X S+ 0 0 9 -3,-2.3 3,-1.8 1,-0.3 4,-0.4 0.805 77.0 74.3 -53.6 -29.8 -18.2 0.4 14.6 96 96 A W G < S+ 0 0 29 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.477 78.9 72.3 -63.8 -7.9 -18.5 -3.0 12.8 97 97 A A G <> S+ 0 0 0 -3,-1.9 4,-2.0 2,-0.1 -1,-0.3 0.782 83.3 71.0 -76.3 -26.6 -22.1 -2.3 12.0 98 98 A L H <> S+ 0 0 3 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 0.909 95.1 49.7 -58.8 -52.1 -21.1 0.3 9.5 99 99 A G H > S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.922 112.9 42.0 -54.4 -55.5 -19.7 -2.0 6.8 100 100 A P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.929 114.4 52.7 -65.8 -40.0 -22.5 -4.5 6.6 101 101 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 6,-0.9 0.920 113.4 41.9 -58.0 -49.0 -25.2 -1.8 6.7 102 102 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 4,-0.2 -1,-0.2 0.914 117.9 46.9 -66.9 -41.3 -23.7 0.2 3.8 103 103 A A H < S+ 0 0 7 -4,-2.4 49,-0.3 -5,-0.2 -2,-0.2 0.853 122.5 34.1 -70.0 -36.6 -22.9 -2.9 1.8 104 104 A R H < S+ 0 0 42 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.910 137.3 18.0 -82.4 -46.7 -26.4 -4.5 2.2 105 105 A F H < S- 0 0 60 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.402 95.8-119.5-111.5 -0.6 -28.6 -1.4 2.3 106 106 A G S < S+ 0 0 13 -4,-1.8 42,-2.7 -5,-0.4 2,-0.3 0.497 86.9 69.7 74.1 5.4 -26.4 1.4 0.8 107 107 A K E + M 0 147F 103 -6,-0.9 2,-0.3 40,-0.2 -2,-0.2 -0.995 50.0 156.1-154.6 145.6 -26.5 3.5 3.9 108 108 A G E - M 0 146F 1 38,-1.8 38,-3.5 -2,-0.3 2,-0.4 -0.916 17.7-161.0-170.8 144.6 -25.2 3.4 7.5 109 109 A Q E +lM 82 145F 65 -28,-2.6 -26,-2.1 -2,-0.3 2,-0.3 -0.997 11.6 174.4-128.9 136.2 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66.4 22.6 -77.4 155.4 40.1 0.9 16.3 1652 392 D R > + 0 0 91 -390,-0.5 3,-1.4 -25,-0.1 -1,-0.2 0.884 64.2 168.1 60.5 51.2 39.7 4.6 15.3 1653 393 D I T >> + 0 0 1 -391,-1.6 4,-1.6 -3,-0.3 3,-1.1 0.517 55.2 92.1 -77.5 -5.0 40.8 6.1 18.6 1654 394 D Y H 3> S+ 0 0 72 -392,-0.4 4,-0.7 1,-0.3 -1,-0.3 0.821 79.1 65.9 -53.8 -30.8 41.1 9.6 17.0 1655 395 D H H X4 S+ 0 0 31 -3,-1.4 3,-0.7 1,-0.2 4,-0.5 0.902 101.4 47.1 -54.2 -42.9 37.5 9.9 18.3 1656 396 D I H X> S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.2 3,-1.3 0.885 104.3 59.4 -68.1 -39.6 38.9 9.7 21.8 1657 397 D D H 3< S+ 0 0 25 -4,-1.6 -348,-2.0 1,-0.3 -1,-0.2 0.605 91.8 72.1 -68.4 -11.7 41.6 12.3 21.2 1658 398 D R T << S+ 0 0 71 -4,-0.7 -348,-0.6 -3,-0.7 -1,-0.3 0.872 118.7 12.0 -65.8 -37.3 38.8 14.8 20.3 1659 399 D G T <4 S+ 0 0 3 -3,-1.3 2,-0.4 -4,-0.5 -376,-0.3 0.520 118.8 64.0-122.8 -11.1 37.8 15.0 24.0 1660 400 D Y S < S- 0 0 3 -4,-2.2 2,-0.8 -377,-0.1 3,-0.4 -0.980 71.0-133.4-121.8 130.7 40.5 13.4 26.2 1661 401 D D S S- 0 0 21 -2,-0.4 5,-0.2 1,-0.2 -353,-0.1 -0.738 81.6 -35.9 -82.6 107.4 44.1 14.6 26.5 1662 402 D K S >> S- 0 0 99 -2,-0.8 4,-1.3 -355,-0.3 3,-1.0 0.892 71.1-178.6 44.7 61.1 46.4 11.5 26.2 1663 403 D I H 3> S+ 0 0 2 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.789 75.8 62.8 -61.5 -28.8 44.0 9.1 28.0 1664 404 D E H 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 102.3 50.3 -66.0 -32.6 46.5 6.2 27.6 1665 405 D D H <> S+ 0 0 81 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.886 112.3 45.7 -70.9 -41.3 49.1 8.1 29.8 1666 406 D K H < S+ 0 0 34 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.911 116.0 46.2 -72.9 -39.2 46.6 8.7 32.5 1667 407 D L H ><>S+ 0 0 2 -4,-2.6 5,-2.3 2,-0.2 3,-1.2 0.856 110.6 53.0 -65.5 -39.0 45.4 5.1 32.4 1668 408 D T H ><5S+ 0 0 70 -4,-2.2 3,-2.3 1,-0.3 -2,-0.2 0.907 102.2 59.1 -61.3 -41.5 49.0 3.8 32.3 1669 409 D A T 3<5S+ 0 0 72 -4,-2.0 -393,-0.4 1,-0.3 -1,-0.3 0.550 104.6 52.7 -66.1 -6.4 49.7 5.9 35.5 1670 410 D L T < 5S- 0 0 8 -3,-1.2 -396,-1.4 -395,-0.1 -1,-0.3 0.212 130.6 -92.6-110.8 10.1 46.9 3.8 37.0 1671 411 D G T < 5S+ 0 0 52 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.478 75.8 145.5 94.0 4.8 48.4 0.4 36.1 1672 412 D A < - 0 0 15 -5,-2.3 2,-0.9 -6,-0.1 -1,-0.3 -0.444 47.9-135.2 -73.4 147.4 46.7 -0.2 32.7 1673 413 D N E +S 1267 0h 92 -406,-0.6 -406,-2.2 -31,-0.1 2,-0.4 -0.868 48.3 148.1-100.7 96.5 48.6 -2.0 30.0 1674 414 D I E -S 1266 0h 16 -2,-0.9 2,-0.4 -408,-0.2 -408,-0.2 -0.997 26.0-171.5-139.6 133.6 47.7 0.2 27.0 1675 415 D E E -S 1265 0h 113 -410,-2.4 -410,-2.8 -2,-0.4 2,-0.6 -0.987 20.3-138.0-127.6 128.8 49.7 1.0 23.8 1676 416 D R E -S 1264 0h 52 -2,-0.4 2,-0.3 -412,-0.2 -412,-0.2 -0.790 29.8-168.0 -77.3 120.3 48.8 3.6 21.1 1677 417 D V E -S 1263 0h 19 -414,-2.7 -414,-1.7 -2,-0.6 2,-0.3 -0.776 8.1-144.1-107.2 157.3 49.7 1.9 17.8 1678 418 D H 0 0 139 -2,-0.3 -416,-0.2 -416,-0.2 -414,-0.0 -0.902 360.0 360.0-117.5 150.7 49.9 3.6 14.4 1679 419 D S 0 0 99 -2,-0.3 -417,-0.1 0, 0.0 0, 0.0 -0.659 360.0 360.0-160.2 360.0 48.9 2.2 10.9