==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-12 3ZH3 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.GUTIERREZ-FERNANDEZ,J.A.HERMOSO . 412 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 16.0 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 . 4 1.0 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 . 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 . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 0 0 2 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 2 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M 0 0 159 0, 0.0 412,-1.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.4 -19.5 3.1 -13.1 2 2 A R E -A 412 0A 90 410,-0.2 384,-0.5 383,-0.0 385,-0.4 -0.299 360.0-176.5 -78.2 161.3 -18.0 2.0 -9.8 3 3 A K E -A 411 0A 31 408,-1.4 408,-2.5 382,-0.1 2,-0.6 -0.976 27.4-111.5-152.6 161.1 -15.8 3.9 -7.4 4 4 A I E -AB 410 384A 0 380,-2.4 380,-2.7 -2,-0.3 2,-0.5 -0.878 26.0-163.5-103.4 119.5 -13.9 3.5 -4.2 5 5 A V E -AB 409 383A 20 404,-2.9 404,-1.5 -2,-0.6 2,-0.4 -0.890 11.3-175.9-104.6 126.2 -15.1 5.4 -1.1 6 6 A I E -AB 408 382A 0 376,-2.2 376,-2.6 -2,-0.5 2,-0.7 -0.976 21.7-163.8-129.8 126.5 -12.7 5.8 1.8 7 7 A N E -AB 407 381A 60 400,-1.4 400,-0.6 -2,-0.4 3,-0.3 -0.902 30.1-167.5-102.8 103.6 -13.0 7.3 5.2 8 8 A G E + B 0 380A 12 372,-1.4 372,-0.6 -2,-0.7 369,-0.2 -0.159 52.5 75.1 -87.7 179.2 -9.5 7.7 6.5 9 9 A G + 0 0 33 367,-2.4 -1,-0.2 1,-0.4 368,-0.1 0.188 68.0 120.4 104.2 -13.9 -7.9 8.5 9.9 10 10 A L - 0 0 86 -3,-0.3 -1,-0.4 366,-0.2 2,-0.3 -0.672 66.1-119.5 -88.3 135.5 -8.6 5.1 11.3 11 11 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 231,-0.2 -0.561 28.3-137.8 -71.2 131.7 -5.7 2.9 12.5 12 12 A L E +d 242 0B 1 229,-1.7 231,-3.3 -2,-0.3 232,-0.4 -0.665 27.3 169.6 -94.0 149.2 -5.4 -0.4 10.7 13 13 A Q E + 0 0 116 391,-3.5 2,-0.3 -2,-0.3 232,-0.2 -0.957 27.5 53.8-160.5 134.8 -4.7 -3.7 12.4 14 14 A G E S-d 245 0B 23 230,-1.7 232,-2.0 -2,-0.3 2,-0.3 -0.991 76.1 -41.6 146.1-150.8 -4.7 -7.4 11.5 15 15 A E E -d 246 0B 101 388,-0.3 2,-0.3 -2,-0.3 232,-0.2 -0.886 40.5-177.0-119.4 149.8 -3.3 -9.9 9.0 16 16 A I E -d 247 0B 7 230,-1.8 232,-3.6 -2,-0.3 2,-0.4 -0.986 12.4-147.8-149.4 137.4 -2.9 -9.7 5.2 17 17 A T E -d 248 0B 66 -2,-0.3 2,-0.3 230,-0.2 232,-0.2 -0.889 13.8-132.1-113.8 133.3 -1.7 -12.2 2.6 18 18 A I - 0 0 2 230,-2.1 3,-0.1 -2,-0.4 210,-0.1 -0.629 24.0-128.4 -82.9 134.3 0.2 -11.4 -0.6 19 19 A S - 0 0 21 -2,-0.3 208,-2.4 1,-0.1 212,-0.1 -0.207 37.1 -80.0 -73.3 169.3 -1.0 -13.1 -3.8 20 20 A G B -G 226 0C 4 206,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.333 55.3 -88.9 -70.8 153.4 1.2 -15.1 -6.2 21 21 A A > - 0 0 5 204,-2.8 4,-2.3 1,-0.2 3,-0.4 -0.475 30.0-158.6 -67.8 121.0 3.4 -13.3 -8.7 22 22 A K H > S+ 0 0 61 -2,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.906 92.8 54.0 -64.4 -43.7 1.6 -12.7 -12.0 23 23 A N H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.682 113.6 44.2 -66.4 -18.3 4.8 -12.3 -14.0 24 24 A S H >> S+ 0 0 0 -3,-0.4 4,-1.7 201,-0.2 3,-1.6 0.873 108.1 52.9 -91.8 -45.5 6.0 -15.7 -12.6 25 25 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.797 99.5 64.3 -64.8 -28.8 2.8 -17.8 -13.0 26 26 A V H 3< S+ 0 0 8 -4,-1.5 -1,-0.3 1,-0.2 70,-0.1 0.631 111.2 38.1 -70.5 -12.5 2.5 -16.9 -16.7 27 27 A A H <> S+ 0 0 0 -3,-1.6 4,-1.0 2,-0.1 -2,-0.2 0.697 110.9 57.6-105.7 -30.8 5.8 -18.7 -17.3 28 28 A L H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.921 102.8 54.7 -66.2 -45.9 5.3 -21.6 -14.9 29 29 A I H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.920 111.2 40.2 -59.1 -51.5 2.1 -22.8 -16.5 30 30 A P H >4 S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.744 107.7 65.0 -73.5 -17.0 3.3 -23.2 -20.1 31 31 A A H >< S+ 0 0 0 -4,-1.0 3,-1.3 1,-0.2 4,-0.3 0.707 85.7 73.2 -73.0 -20.1 6.6 -24.6 -18.9 32 32 A I G X< S+ 0 0 0 -3,-0.9 3,-2.2 -4,-0.8 -1,-0.2 0.775 76.9 77.9 -64.8 -26.3 4.7 -27.6 -17.5 33 33 A I G < S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.798 86.6 61.0 -53.0 -30.4 4.2 -28.9 -21.1 34 34 A L G < S+ 0 0 0 -3,-1.3 183,-0.4 -4,-0.2 -1,-0.3 0.722 87.5 97.5 -69.6 -22.2 7.9 -30.1 -21.0 35 35 A A < - 0 0 1 -3,-2.2 183,-0.2 -4,-0.3 184,-0.1 -0.338 63.9-151.5 -73.9 149.8 7.1 -32.4 -18.1 36 36 A D S S+ 0 0 69 181,-2.6 2,-0.2 2,-0.1 182,-0.2 0.375 81.6 33.0 -96.8 1.0 6.3 -36.1 -18.5 37 37 A D S S- 0 0 76 180,-0.2 2,-0.2 -5,-0.2 183,-0.1 -0.831 103.0 -58.7-144.8-178.9 4.1 -36.2 -15.4 38 38 A V - 0 0 42 -2,-0.2 2,-0.5 36,-0.2 182,-0.3 -0.441 43.8-158.0 -71.2 135.0 1.7 -34.0 -13.4 39 39 A V E -H 73 0D 0 34,-2.2 34,-2.3 180,-0.2 2,-0.4 -0.968 3.3-154.7-117.2 126.9 3.0 -30.7 -12.0 40 40 A T E -Hi 72 221D 17 180,-2.2 182,-2.9 -2,-0.5 2,-0.4 -0.852 4.2-159.8-104.7 131.4 1.3 -29.1 -9.0 41 41 A L E -Hi 71 222D 0 30,-2.7 30,-2.2 -2,-0.4 3,-0.3 -0.923 6.4-159.5-111.6 132.5 1.5 -25.3 -8.3 42 42 A D E + i 0 223D 30 180,-2.9 182,-2.5 -2,-0.4 28,-0.2 -0.755 67.2 22.6-109.3 157.6 0.9 -23.8 -4.9 43 43 A C S S+ 0 0 39 -2,-0.3 -1,-0.2 1,-0.2 27,-0.2 0.926 76.8 174.6 55.5 51.4 -0.1 -20.2 -4.0 44 44 A V - 0 0 6 25,-2.9 -1,-0.2 -3,-0.3 2,-0.1 -0.776 29.8-122.2 -91.6 127.3 -1.5 -19.4 -7.4 45 45 A P - 0 0 6 0, 0.0 2,-1.3 0, 0.0 5,-0.1 -0.386 15.9-126.8 -67.8 142.9 -3.2 -15.9 -7.7 46 46 A D + 0 0 113 -2,-0.1 2,-0.2 4,-0.1 -27,-0.0 -0.650 58.6 136.2 -92.1 79.9 -6.8 -15.9 -8.9 47 47 A I > - 0 0 27 -2,-1.3 4,-1.6 348,-0.1 3,-0.3 -0.718 68.9-104.7-121.2 171.9 -6.6 -13.5 -11.8 48 48 A S H > S+ 0 0 76 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.785 116.5 59.8 -67.7 -28.5 -7.9 -13.4 -15.4 49 49 A D H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 104.9 48.0 -68.4 -38.3 -4.5 -14.3 -16.8 50 50 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.925 111.6 49.9 -67.0 -45.0 -4.5 -17.6 -14.9 51 51 A A H X S+ 0 0 37 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.855 111.7 49.5 -61.4 -36.4 -8.0 -18.5 -16.0 52 52 A S H X S+ 0 0 30 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.882 110.0 50.1 -70.6 -39.8 -7.1 -17.7 -19.6 53 53 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.881 107.0 55.1 -65.7 -39.6 -4.0 -19.8 -19.5 54 54 A V H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 105.6 52.2 -60.7 -42.9 -6.0 -22.8 -18.1 55 55 A E H X S+ 0 0 121 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.884 109.6 49.6 -60.9 -40.0 -8.4 -22.7 -21.0 56 56 A I H X S+ 0 0 11 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.906 109.7 50.2 -66.7 -42.9 -5.5 -22.8 -23.5 57 57 A M H ><>S+ 0 0 1 -4,-2.3 5,-3.0 1,-0.2 3,-0.6 0.909 112.4 48.2 -59.7 -42.6 -3.9 -25.7 -21.7 58 58 A E H 3<5S+ 0 0 101 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.810 108.1 54.7 -68.6 -30.9 -7.3 -27.5 -21.8 59 59 A L H 3<5S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.669 108.8 49.1 -75.9 -17.0 -7.7 -26.7 -25.5 60 60 A M T <<5S- 0 0 9 -4,-1.0 19,-4.0 -3,-0.6 -1,-0.2 0.444 131.1 -88.0-102.4 -3.0 -4.3 -28.3 -26.3 61 61 A G T 5S+ 0 0 31 -3,-0.5 2,-0.4 -4,-0.5 16,-0.2 0.515 82.3 131.9 113.6 8.8 -5.1 -31.5 -24.4 62 62 A A < - 0 0 2 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.3 -0.768 46.7-140.9 -95.5 135.7 -4.0 -30.8 -20.8 63 63 A T E -J 74 0D 91 11,-1.2 11,-2.5 -2,-0.4 2,-0.4 -0.798 19.9-165.3 -94.6 134.7 -6.2 -31.6 -17.9 64 64 A V E -J 73 0D 23 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.971 14.6-161.1-129.3 124.3 -6.3 -29.1 -15.0 65 65 A K E -J 72 0D 141 7,-2.6 7,-2.5 -2,-0.4 2,-0.5 -0.900 17.0-170.1 -97.1 122.2 -7.6 -29.4 -11.4 66 66 A R E +J 71 0D 99 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.961 21.5 134.2-119.6 125.7 -8.1 -26.0 -9.8 67 67 A Y E > -J 70 0D 107 3,-1.7 3,-3.7 -2,-0.5 2,-0.3 -0.974 64.1 -11.7-160.3 156.0 -8.9 -25.5 -6.1 68 68 A D T 3 S- 0 0 138 -2,-0.3 -26,-0.0 1,-0.3 -2,-0.0 -0.316 126.3 -41.1 53.9-109.3 -7.8 -23.3 -3.2 69 69 A D T 3 S+ 0 0 77 -2,-0.3 -25,-2.9 -28,-0.1 2,-0.4 -0.163 114.9 114.7-133.3 35.5 -4.8 -21.6 -4.7 70 70 A V E < - J 0 67D 5 -3,-3.7 -3,-1.7 -28,-0.2 2,-0.5 -0.901 45.8-165.9-119.5 135.0 -3.5 -24.8 -6.3 71 71 A L E -HJ 41 66D 1 -30,-2.2 -30,-2.7 -2,-0.4 2,-0.6 -0.959 2.1-171.7-120.7 114.0 -3.1 -25.8 -10.0 72 72 A E E -HJ 40 65D 49 -7,-2.5 -7,-2.6 -2,-0.5 2,-0.5 -0.920 14.2-175.3-102.3 115.8 -2.6 -29.5 -10.9 73 73 A I E -HJ 39 64D 0 -34,-2.3 -34,-2.2 -2,-0.6 -9,-0.2 -0.943 18.9-160.3-119.9 128.3 -1.8 -29.8 -14.6 74 74 A D E > + J 0 63D 30 -11,-2.5 -11,-1.2 -2,-0.5 3,-0.6 -0.885 11.1 177.3-106.6 102.3 -1.3 -33.0 -16.6 75 75 A P G > + 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.321 58.1 95.3 -86.5 6.5 0.7 -32.1 -19.7 76 76 A R G 3 S+ 0 0 145 1,-0.2 -14,-0.1 -13,-0.1 -38,-0.0 0.801 84.2 48.4 -69.3 -29.7 0.8 -35.8 -20.9 77 77 A G G < S+ 0 0 41 -3,-0.6 2,-0.3 -16,-0.2 -1,-0.2 0.285 80.1 132.4 -94.5 10.3 -2.2 -35.3 -23.2 78 78 A V < - 0 0 4 -3,-1.1 -17,-0.3 -45,-0.1 2,-0.3 -0.473 43.8-152.1 -68.9 124.1 -1.0 -32.1 -24.8 79 79 A Q - 0 0 128 -19,-4.0 2,-1.5 -2,-0.3 -17,-0.1 -0.661 21.6-113.8 -96.0 151.6 -1.3 -32.3 -28.6 80 80 A N + 0 0 60 -2,-0.3 28,-0.0 24,-0.1 -1,-0.0 -0.652 61.2 145.9 -83.8 86.0 0.9 -30.4 -31.1 81 81 A I - 0 0 69 -2,-1.5 28,-0.1 -21,-0.1 -2,-0.0 -0.918 52.4 -98.0-125.0 149.2 -1.7 -28.0 -32.5 82 82 A P - 0 0 76 0, 0.0 28,-0.2 0, 0.0 57,-0.0 -0.242 36.5-121.7 -59.0 151.1 -1.6 -24.4 -33.8 83 83 A M B -k 110 0E 8 26,-2.3 28,-1.4 2,-0.0 2,-0.1 -0.889 22.6-130.7-102.1 116.8 -2.6 -21.6 -31.4 84 84 A P >> - 0 0 62 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.372 9.7-134.3 -64.5 139.7 -5.5 -19.5 -32.7 85 85 A Y H 3> S+ 0 0 105 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.814 101.4 65.1 -65.4 -32.2 -4.9 -15.7 -32.5 86 86 A G H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.451 107.2 42.5 -72.6 1.0 -8.3 -15.1 -31.0 87 87 A K H <4 S+ 0 0 100 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.549 117.8 41.0-118.7 -18.2 -7.4 -17.0 -27.9 88 88 A I H >< S+ 0 0 8 -4,-0.8 3,-1.2 -3,-0.5 6,-0.2 0.520 94.5 78.3-109.6 -10.7 -3.8 -15.8 -27.3 89 89 A N T 3< S+ 0 0 86 -4,-1.6 -3,-0.1 1,-0.3 -1,-0.1 0.746 90.3 56.8 -71.4 -23.8 -4.3 -12.1 -28.0 90 90 A S T 3 S+ 0 0 75 -5,-0.2 2,-0.3 -38,-0.0 -1,-0.3 0.304 92.4 99.7 -89.1 8.6 -5.9 -11.5 -24.6 91 91 A L < - 0 0 20 -3,-1.2 3,-0.4 1,-0.2 -3,-0.1 -0.713 65.5-145.1-100.4 147.6 -2.8 -12.9 -22.9 92 92 A R S S+ 0 0 145 -2,-0.3 2,-0.8 1,-0.2 3,-0.2 0.988 95.3 9.5 -65.9 -79.9 0.1 -11.0 -21.3 93 93 A A S > S+ 0 0 8 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.648 71.4 150.5-106.7 74.1 3.1 -13.2 -22.1 94 94 A S T > + 0 0 17 -2,-0.8 3,-1.2 -3,-0.4 -1,-0.2 0.569 63.3 79.0 -77.1 -9.3 1.6 -15.8 -24.6 95 95 A Y T >> S+ 0 0 71 1,-0.3 3,-1.0 -3,-0.2 4,-0.7 0.520 71.2 79.9 -76.8 -5.6 5.1 -15.9 -26.0 96 96 A Y H <> S+ 0 0 10 -3,-1.1 4,-0.7 1,-0.2 -1,-0.3 0.613 82.6 65.0 -75.1 -12.2 6.2 -18.2 -23.2 97 97 A F H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.647 89.3 70.4 -78.7 -17.1 4.4 -21.0 -25.2 98 98 A Y H <> S+ 0 0 17 -3,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.981 104.2 35.2 -64.7 -59.3 7.1 -20.6 -27.8 99 99 A G H X S+ 0 0 0 -4,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.774 117.3 58.0 -65.8 -26.7 10.0 -22.0 -25.9 100 100 A S H X S+ 0 0 0 -4,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.960 109.9 39.3 -67.4 -53.6 7.7 -24.5 -24.3 101 101 A L H X>S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-1.5 0.726 112.3 59.2 -71.8 -22.5 6.4 -26.1 -27.5 102 102 A L H <5S+ 0 0 4 -4,-1.5 45,-0.3 4,-0.2 -1,-0.2 0.866 108.9 42.9 -72.4 -37.3 9.9 -25.9 -29.0 103 103 A G H <5S+ 0 0 12 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.740 122.0 41.6 -78.1 -23.6 11.4 -28.0 -26.2 104 104 A R H <5S+ 0 0 88 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.2 0.902 137.8 3.3 -90.5 -49.1 8.4 -30.4 -26.4 105 105 A F T <5S- 0 0 63 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.1 0.684 89.7-118.6-112.3 -27.5 7.7 -30.9 -30.1 106 106 A G S 0 0 203 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 107.2 9.1 -5.3 -31.7 116 122 A P T 3 + 0 0 114 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.442 360.0 73.2 -85.6 -1.8 10.4 -6.8 -28.4 117 123 A I T 3> S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.617 77.7 76.7 -85.8 -14.5 9.7 -10.3 -29.7 118 124 A D H <> S+ 0 0 76 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.801 88.2 57.9 -66.2 -29.5 12.7 -10.1 -32.0 119 125 A L H > S+ 0 0 29 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4.7 -12.6 387 393 A I > + 0 0 0 -385,-0.4 4,-1.6 -3,-0.1 3,-0.2 0.172 27.3 107.0-121.8 14.8 -10.7 1.8 -10.3 388 394 A E H > S+ 0 0 49 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.830 84.6 46.9 -66.4 -32.9 -11.5 -1.2 -12.5 389 395 A F H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.689 105.7 59.9 -83.0 -19.6 -7.9 -2.0 -13.1 390 396 A I H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.889 101.9 53.0 -71.5 -40.1 -7.0 -1.6 -9.4 391 397 A L H < S+ 0 0 33 -4,-1.6 5,-0.4 1,-0.2 6,-0.2 0.747 114.3 43.5 -66.5 -24.2 -9.4 -4.3 -8.5 392 398 A R H < S+ 0 0 156 -4,-0.5 3,-0.3 -5,-0.1 -1,-0.2 0.791 112.1 51.6 -88.8 -33.7 -7.6 -6.6 -11.0 393 399 A G H < S+ 0 0 24 -4,-1.9 2,-0.6 1,-0.3 -2,-0.2 0.891 119.5 35.8 -69.3 -41.1 -4.1 -5.5 -10.0 394 400 A Y S >< S- 0 0 1 -4,-2.6 3,-1.5 -5,-0.1 -1,-0.3 -0.890 89.9-140.7-117.4 99.7 -4.8 -6.2 -6.3 395 401 A S T 3 S- 0 0 18 -2,-0.6 -3,-0.1 -3,-0.3 -376,-0.1 -0.370 81.4 -5.7 -64.6 129.6 -7.1 -9.3 -5.9 396 402 A D T 3> S+ 0 0 104 -5,-0.4 4,-2.4 -2,-0.1 -1,-0.3 0.795 84.7 151.4 57.6 33.3 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