==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-MAR-00 1EJD . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR S.ESCHENBURG,E.SCHONBRUNN . 838 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 8 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 0.1 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 . 74 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 5 1 2 6 2 2 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 4 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 PARALLEL BRIDGES PER LADDER . 2 0 4 4 15 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 . 0 0 12 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 0 108 0, 0.0 418,-0.8 0, 0.0 391,-0.1 0.000 360.0 360.0 360.0 91.0 35.5 54.1 17.7 2 2 A D E -A 418 0A 49 416,-0.2 391,-1.4 389,-0.1 390,-0.4 -0.287 360.0-172.6 -65.2 149.1 36.1 50.8 15.9 3 3 A K E -A 417 0A 42 414,-2.3 414,-3.0 389,-0.2 2,-0.5 -0.893 21.3-124.2-136.3 163.0 36.2 50.6 12.1 4 4 A F E -AB 416 390A 0 386,-2.3 386,-2.6 -2,-0.3 2,-0.6 -0.965 14.1-157.2-112.7 128.5 36.3 47.9 9.5 5 5 A R E -AB 415 389A 80 410,-2.6 410,-2.2 -2,-0.5 2,-0.4 -0.932 19.3-174.2-102.0 119.8 39.1 47.9 7.0 6 6 A V E -AB 414 388A 0 382,-3.2 382,-3.2 -2,-0.6 2,-0.5 -0.952 9.9-162.9-119.8 136.6 37.9 45.8 4.0 7 7 A Q E -AB 413 387A 65 406,-2.4 406,-0.6 -2,-0.4 380,-0.2 -0.971 29.1-102.6-122.5 129.3 40.0 44.9 1.0 8 8 A G E + B 0 386A 18 378,-2.4 378,-1.8 -2,-0.5 375,-0.2 -0.733 65.5 29.5-132.3-175.7 38.6 43.6 -2.2 9 9 A P + 0 0 85 0, 0.0 2,-0.4 0, 0.0 374,-0.3 0.432 63.4 153.6 -84.4 147.8 37.6 42.3 -4.6 10 10 A T - 0 0 33 372,-2.1 2,-0.5 -2,-0.1 402,-0.1 -0.988 40.7-131.1-135.0 144.6 36.7 39.0 -3.0 11 11 A R - 0 0 119 -2,-0.4 2,-0.6 400,-0.1 236,-0.1 -0.847 26.3-140.5 -92.1 127.0 34.2 36.3 -4.1 12 12 A L + 0 0 3 -2,-0.5 237,-0.8 230,-0.4 2,-0.3 -0.807 36.9 148.9 -95.9 120.8 32.2 35.3 -1.0 13 13 A Q E +d 249 0B 103 397,-2.4 2,-0.3 -2,-0.6 237,-0.2 -0.996 23.7 59.9-150.0 149.0 31.4 31.6 -0.8 14 14 A G E S-d 250 0B 33 235,-2.1 237,-1.8 -2,-0.3 2,-0.3 -0.992 78.8 -42.8 139.7-146.5 30.9 29.0 1.9 15 15 A E E -d 251 0B 63 -2,-0.3 2,-0.3 394,-0.3 237,-0.2 -0.913 39.9-174.2-126.4 149.8 28.5 28.4 4.8 16 16 A V E -d 252 0B 7 235,-2.2 237,-3.0 -2,-0.3 2,-0.6 -0.994 19.8-137.0-141.8 142.2 27.1 30.8 7.4 17 17 A T E -d 253 0B 58 -2,-0.3 2,-0.3 235,-0.2 237,-0.2 -0.912 24.8-131.7-102.0 125.4 24.9 30.0 10.4 18 18 A I - 0 0 1 235,-2.9 2,-0.1 -2,-0.6 3,-0.1 -0.556 18.6-134.2 -77.9 136.0 22.1 32.5 10.8 19 19 A S - 0 0 10 -2,-0.3 213,-2.8 1,-0.1 217,-0.1 -0.384 31.6 -87.9 -83.1 163.6 21.7 33.9 14.3 20 20 A G B -G 231 0C 1 211,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.377 54.4 -93.7 -68.1 153.9 18.3 34.2 16.1 21 21 A A >> - 0 0 2 209,-2.6 4,-3.0 1,-0.2 3,-1.6 -0.576 23.6-155.8 -75.1 121.9 16.4 37.4 15.4 22 22 A K H 3> S+ 0 0 33 -2,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.872 96.6 60.2 -61.2 -36.9 17.1 40.2 18.0 23 23 A N H 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.515 112.8 36.5 -72.1 -7.2 13.7 41.7 17.0 24 24 A A H <> S+ 0 0 0 -3,-1.6 4,-1.9 206,-0.2 -2,-0.2 0.665 113.9 56.2-106.6 -39.3 11.9 38.4 18.1 25 25 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.910 104.9 54.3 -60.3 -41.7 14.2 37.7 21.1 26 26 A L H X S+ 0 0 6 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.959 110.2 41.8 -62.0 -53.7 13.5 41.1 22.7 27 27 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.870 116.2 52.0 -63.0 -30.5 9.6 40.9 22.7 28 28 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.913 106.5 52.6 -69.1 -40.4 9.9 37.3 23.8 29 29 A L H < S+ 0 0 0 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.896 113.3 43.7 -63.2 -40.0 12.2 38.1 26.7 30 30 A F H >< S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.880 108.8 56.8 -72.3 -34.4 9.8 40.8 28.0 31 31 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 4,-0.2 0.796 92.4 72.7 -63.9 -25.6 6.8 38.4 27.4 32 32 A A G >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.3 -1,-0.3 0.665 76.6 77.7 -63.9 -15.8 8.7 36.0 29.8 33 33 A L G < S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.710 89.1 58.8 -65.2 -16.7 7.7 38.4 32.6 34 34 A L G < S+ 0 0 1 -3,-2.3 188,-0.7 -4,-0.2 2,-0.4 0.630 84.2 103.2 -82.5 -17.9 4.3 36.7 32.3 35 35 A A B < -h 222 0D 1 -3,-1.4 40,-0.3 -4,-0.2 188,-0.2 -0.556 49.2-170.3 -75.7 125.9 5.7 33.3 33.0 36 36 A E S S+ 0 0 80 186,-2.0 187,-0.2 -2,-0.4 188,-0.2 0.647 74.7 49.5 -85.5 -17.1 5.1 31.8 36.5 37 37 A E S S- 0 0 89 186,-1.7 38,-0.3 185,-0.1 188,-0.1 -0.809 104.6 -72.4-120.3 161.1 7.5 28.9 35.9 38 38 A P - 0 0 85 0, 0.0 187,-1.8 0, 0.0 2,-0.4 -0.158 47.2-163.6 -54.3 141.9 11.1 28.7 34.5 39 39 A V E -Ij 73 225E 3 34,-2.7 34,-3.0 185,-0.2 2,-0.5 -0.966 12.7-156.1-128.7 142.5 11.6 29.3 30.8 40 40 A E E -Ij 72 226E 43 185,-2.2 187,-2.4 -2,-0.4 2,-0.6 -0.991 9.8-162.7-118.9 120.9 14.5 28.6 28.5 41 41 A I E -Ij 71 227E 0 30,-3.1 30,-2.6 -2,-0.5 3,-0.3 -0.924 15.6-158.1-105.5 114.6 14.7 30.8 25.4 42 42 A Q E + j 0 228E 57 185,-3.0 187,-2.7 -2,-0.6 28,-0.2 -0.509 61.6 27.7 -95.3 160.2 17.0 29.2 22.8 43 43 A N S S+ 0 0 28 1,-0.2 -1,-0.2 185,-0.2 27,-0.2 0.874 73.5 161.5 62.3 42.1 18.9 30.7 19.9 44 44 A V - 0 0 5 25,-2.3 -1,-0.2 -3,-0.3 -22,-0.1 -0.827 36.3-126.1 -94.3 125.0 19.2 34.1 21.4 45 45 A P - 0 0 3 0, 0.0 2,-1.2 0, 0.0 5,-0.0 -0.251 16.7-117.4 -68.4 157.8 21.9 36.3 19.8 46 46 A K + 0 0 113 4,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.774 61.2 140.2 -97.6 90.3 24.7 37.9 21.9 47 47 A L >> - 0 0 8 -2,-1.2 4,-1.6 1,-0.1 3,-1.1 -0.930 65.0-104.9-132.1 158.8 24.0 41.5 21.3 48 48 A K H 3> S+ 0 0 76 -2,-0.3 4,-2.8 349,-0.3 5,-0.2 0.869 116.9 53.6 -49.0 -49.3 24.0 44.7 23.4 49 49 A D H 3> S+ 0 0 28 349,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.804 106.0 54.2 -62.4 -27.5 20.2 45.0 23.6 50 50 A I H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.917 109.7 47.2 -70.5 -41.6 20.0 41.5 24.9 51 51 A D H X S+ 0 0 69 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.923 112.3 49.7 -62.8 -45.2 22.4 42.3 27.7 52 52 A T H X S+ 0 0 19 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.934 112.0 49.1 -59.8 -43.9 20.5 45.5 28.5 53 53 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.909 109.2 51.0 -63.7 -42.1 17.3 43.5 28.6 54 54 A M H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.907 111.1 48.9 -63.0 -38.6 18.8 40.8 30.9 55 55 A K H X S+ 0 0 139 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.894 112.4 48.6 -66.4 -39.5 20.0 43.6 33.3 56 56 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.945 110.5 49.8 -66.1 -45.9 16.6 45.2 33.3 57 57 A L H <>S+ 0 0 1 -4,-2.9 5,-2.3 1,-0.2 3,-0.4 0.904 109.4 53.1 -59.4 -38.5 14.8 41.9 34.0 58 58 A T H ><5S+ 0 0 77 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.895 104.4 55.0 -63.3 -39.8 17.2 41.3 36.8 59 59 A Q H 3<5S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.764 104.6 55.3 -64.7 -26.7 16.4 44.7 38.3 60 60 A L T 3<5S- 0 0 0 -4,-1.3 19,-1.8 -3,-0.4 20,-1.5 0.557 130.1 -94.8 -83.5 -7.1 12.7 43.7 38.3 61 61 A G T < 5S+ 0 0 24 -3,-1.4 16,-0.3 -4,-0.4 2,-0.2 0.551 77.9 141.5 106.4 9.0 13.4 40.6 40.3 62 62 A T < - 0 0 5 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.608 50.7-131.6 -82.1 144.0 13.8 38.0 37.5 63 63 A K E +K 74 0E 148 11,-2.5 11,-2.2 -2,-0.2 2,-0.4 -0.894 37.1 178.6 -94.0 122.0 16.6 35.4 37.9 64 64 A V E +K 73 0E 14 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.988 14.4 161.4-132.1 139.1 18.4 35.4 34.5 65 65 A E E -K 72 0E 143 7,-1.7 7,-3.2 -2,-0.4 2,-0.3 -0.977 10.9-177.0-147.4 151.7 21.4 33.5 33.2 66 66 A R E K 71 0E 49 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.965 360.0 360.0-148.3 169.2 22.7 32.9 29.7 67 67 A X 0 0 71 3,-1.7 -1,-0.0 -2,-0.3 5,-0.0 -0.056 360.0 360.0 -79.2 360.0 25.4 31.1 27.6 68 ! 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 69 68 A G 0 0 51 0, 0.0 -25,-2.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -15.2 23.2 30.1 23.3 70 69 A S - 0 0 13 -28,-0.2 -3,-1.7 -27,-0.2 2,-0.5 -0.642 360.0-137.9-106.1 163.2 20.1 30.2 25.5 71 70 A V E -IK 41 66E 0 -30,-2.6 -30,-3.1 -2,-0.2 2,-0.5 -0.996 17.8-152.2-120.3 124.1 18.7 32.6 28.0 72 71 A W E -IK 40 65E 115 -7,-3.2 -7,-1.7 -2,-0.5 2,-0.4 -0.877 15.6-170.9 -99.1 130.4 17.2 31.0 31.1 73 72 A I E -IK 39 64E 5 -34,-3.0 -34,-2.7 -2,-0.5 2,-0.5 -0.970 19.9-178.6-127.2 134.6 14.5 33.0 32.9 74 73 A D E + K 0 63E 41 -11,-2.2 -11,-2.5 -2,-0.4 3,-0.3 -0.904 12.4 163.8-130.0 100.7 12.8 32.5 36.2 75 74 A A > + 0 0 0 -2,-0.5 3,-1.3 -40,-0.3 -1,-0.1 0.122 41.3 113.4-100.9 18.6 10.2 35.3 36.7 76 75 A S T 3 S+ 0 0 43 1,-0.3 -1,-0.2 -13,-0.1 -14,-0.1 0.865 84.9 36.2 -60.0 -32.9 8.4 33.4 39.5 77 76 A N T 3 S+ 0 0 110 -3,-0.3 -1,-0.3 -16,-0.3 -2,-0.1 -0.056 73.0 156.7-113.4 31.8 9.5 36.1 42.0 78 77 A V < + 0 0 9 -3,-1.3 -17,-0.3 1,-0.1 3,-0.1 -0.401 9.1 162.9 -56.5 129.4 9.4 39.4 40.1 79 78 A N + 0 0 121 -19,-1.8 2,-0.4 1,-0.2 -18,-0.2 0.185 46.9 66.1-143.1 18.3 9.0 42.0 42.8 80 79 A N - 0 0 51 -20,-1.5 -1,-0.2 1,-0.0 0, 0.0 -0.946 52.0-173.2-142.8 118.4 9.9 45.4 41.5 81 80 A F + 0 0 50 -2,-0.4 28,-1.9 -3,-0.1 2,-0.5 0.154 54.7 95.1-103.5 20.1 7.6 46.8 38.8 82 81 A S E -l 109 0F 39 26,-0.2 28,-0.2 -23,-0.2 63,-0.0 -0.947 56.0-157.2-117.1 122.9 9.5 49.9 37.9 83 82 A A E -l 110 0F 1 26,-3.0 28,-1.7 -2,-0.5 -27,-0.0 -0.866 26.7-142.3 -99.0 108.8 12.0 50.1 35.0 84 83 A P >> - 0 0 28 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.249 17.1-114.0 -72.2 152.8 14.4 53.0 35.8 85 84 A Y H 3> S+ 0 0 141 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.872 111.5 60.8 -52.5 -45.7 16.0 55.6 33.5 86 85 A D H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.787 112.7 37.4 -58.4 -27.6 19.5 54.3 34.0 87 86 A L H <4 S+ 0 0 40 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.663 123.6 38.7 -99.2 -17.7 18.6 50.9 32.6 88 87 A V H >< S+ 0 0 7 -4,-1.4 3,-2.1 -3,-0.4 6,-0.2 0.556 85.5 94.8-108.1 -11.1 16.2 51.9 29.9 89 88 A K T 3< S+ 0 0 109 -4,-2.4 -1,-0.1 1,-0.3 -3,-0.1 0.744 89.4 44.1 -55.3 -28.2 17.8 55.0 28.4 90 89 A T T 3 S+ 0 0 75 1,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.372 111.1 59.5 -99.5 8.1 19.7 53.2 25.7 91 90 A M X - 0 0 6 -3,-2.1 3,-1.9 1,-0.1 -1,-0.2 -0.819 48.6-172.8-146.6 106.7 16.8 51.0 24.6 92 91 A R G > S+ 0 0 152 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.789 85.6 75.1 -61.2 -28.5 13.3 51.9 23.3 93 92 A A G > S+ 0 0 19 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.673 71.8 87.3 -59.8 -15.6 12.3 48.2 23.5 94 93 A S G X + 0 0 5 -3,-1.9 3,-2.1 1,-0.3 4,-0.4 0.726 67.8 77.9 -57.4 -21.5 12.1 48.7 27.2 95 94 A I G X> S+ 0 0 9 -3,-2.0 3,-1.6 1,-0.3 4,-0.5 0.803 78.6 74.2 -58.8 -24.1 8.5 49.9 26.8 96 95 A W G <4 S+ 0 0 32 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.589 81.7 68.2 -68.1 -7.0 7.6 46.1 26.4 97 96 A A G <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.1 -1,-0.3 0.784 88.6 68.7 -79.3 -23.0 8.1 45.6 30.1 98 97 A L H <> S+ 0 0 2 -3,-1.6 4,-2.5 -4,-0.4 5,-0.3 0.932 95.3 47.3 -64.1 -52.1 4.9 47.7 30.8 99 98 A G H X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.911 112.8 47.2 -59.6 -47.5 2.2 45.5 29.5 100 99 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.900 112.1 51.5 -63.8 -37.7 3.3 42.2 31.1 101 100 A L H X>S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 6,-0.8 0.945 114.4 41.7 -65.2 -44.8 3.8 44.0 34.5 102 101 A V H X5S+ 0 0 1 -4,-2.5 4,-1.2 4,-0.2 -1,-0.2 0.931 115.7 50.5 -68.5 -40.5 0.3 45.5 34.4 103 102 A A H <5S+ 0 0 9 -4,-2.7 49,-0.3 -5,-0.3 -2,-0.2 0.897 124.1 27.2 -63.4 -40.2 -1.3 42.3 33.1 104 103 A R H <5S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.862 137.6 21.7 -90.6 -39.6 0.3 40.0 35.7 105 104 A F H <5S- 0 0 61 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.510 94.8-122.1-109.1 -10.2 0.9 42.3 38.7 106 105 A G S < - 0 0 113 1,-0.1 3,-1.1 -4,-0.0 4,-0.5 -0.598 48.6-107.8 -80.5 151.9 5.6 59.2 19.1 122 121 A P T 3 S+ 0 0 75 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.847 115.3 50.1 -47.4 -46.5 6.6 55.5 19.3 123 122 A V T >> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.1 3,-1.0 0.743 88.0 85.8 -69.9 -22.2 5.2 54.9 22.8 124 123 A D H <> S+ 0 0 41 -3,-1.1 4,-2.6 1,-0.3 5,-0.3 0.876 88.0 47.6 -50.4 -49.6 1.8 56.4 22.1 125 124 A L H 3> S+ 0 0 58 -4,-0.5 4,-1.7 -3,-0.5 -1,-0.3 0.810 109.1 55.4 -65.7 -26.2 0.0 53.4 20.6 126 125 A H H <> S+ 0 0 12 -3,-1.0 4,-2.3 -4,-0.4 -1,-0.2 0.941 110.0 47.4 -66.9 -46.1 1.3 51.2 23.5 127 126 A I H X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.937 114.6 43.9 -58.3 -52.7 -0.3 53.6 26.0 128 127 A F H X S+ 0 0 115 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.818 111.1 55.9 -68.6 -28.9 -3.6 53.8 24.2 129 128 A G H X S+ 0 0 5 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.932 109.6 44.6 -66.3 -46.8 -3.7 50.0 23.7 130 129 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-0.3 0.889 110.1 56.3 -65.7 -35.3 -3.3 49.3 27.4 131 130 A E H ><5S+ 0 0 103 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.921 104.2 53.5 -61.7 -39.5 -5.9 51.9 28.2 132 131 A K H 3<5S+ 0 0 142 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.812 103.1 57.8 -64.7 -27.8 -8.3 50.1 25.9 133 132 A L T 3<5S- 0 0 0 -4,-1.2 20,-3.0 -3,-0.3 -1,-0.3 0.370 131.3 -93.0 -81.7 3.3 -7.6 46.9 27.9 134 133 A G T < 5S+ 0 0 46 -3,-1.8 15,-0.4 1,-0.3 -3,-0.2 0.493 76.5 144.5 103.1 1.8 -8.8 48.7 31.0 135 134 A A < - 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