==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUL-07 2QR6 . COMPND 2 MOLECULE: IMP DEHYDROGENASE/GMP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM ATCC 13032; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 371 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 1 1 2 1 2 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 1 3 3 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 . 0 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 1 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 -5 A N > 0 0 154 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.5 7.0 7.2 39.2 2 -4 A L H > + 0 0 143 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.854 360.0 56.1 -68.2 -30.1 10.2 6.0 37.5 3 -3 A Y H > S+ 0 0 165 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.984 115.6 34.5 -62.3 -58.4 9.1 2.4 38.4 4 -2 A F H > S+ 0 0 149 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.878 117.8 53.4 -65.9 -37.5 5.7 2.7 36.7 5 -1 A Q H X S+ 0 0 82 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.949 111.1 46.0 -62.7 -47.8 7.0 4.9 33.9 6 0 A G H X S+ 0 0 25 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.864 111.6 52.8 -60.2 -40.1 9.8 2.5 33.0 7 1 A X H >< S+ 0 0 111 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.964 113.2 44.1 -56.4 -53.4 7.3 -0.4 33.2 8 2 A R H 3< S+ 0 0 193 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.1 48.1 -60.6 -41.3 5.1 1.5 30.7 9 3 A D H 3< S+ 0 0 31 -4,-2.7 12,-3.0 -5,-0.1 2,-0.3 0.397 108.5 63.8 -82.5 -3.3 8.1 2.5 28.4 10 4 A H E << -A 20 0A 83 -3,-1.1 2,-0.4 -4,-0.6 10,-0.2 -0.819 62.5-160.8-120.8 157.1 9.5 -1.1 28.3 11 5 A V E -A 19 0A 54 8,-2.1 8,-2.2 -2,-0.3 2,-0.7 -0.976 25.1-120.0-134.0 151.4 8.2 -4.3 26.9 12 6 A E E -A 18 0A 138 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.850 23.3-172.6 -88.0 114.4 9.0 -7.9 27.5 13 7 A I E - 0 0 114 4,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.874 69.8 -34.8 -72.0 -42.5 10.1 -9.2 24.1 14 8 A G E > S-A 17 0A 29 3,-1.5 3,-2.4 -3,-0.1 -1,-0.4 -0.933 98.5 -37.0-163.9-178.3 10.3 -12.7 25.5 15 9 A I T 3 S- 0 0 173 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.254 130.4 -2.8 -54.0 120.4 11.2 -14.5 28.7 16 10 A G T 3 S+ 0 0 74 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.696 113.4 101.8 70.2 18.8 14.2 -12.6 30.2 17 11 A R E < -A 14 0A 175 -3,-2.4 -4,-2.5 2,-0.0 -3,-1.5 -0.964 46.1-179.0-140.7 120.2 14.5 -10.1 27.3 18 12 A E E -A 12 0A 73 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.2 -0.759 7.4-166.3-117.2 161.0 13.2 -6.5 27.3 19 13 A A E -A 11 0A 38 -8,-2.2 -8,-2.1 -2,-0.3 2,-0.5 -0.964 23.5-118.4-142.1 154.8 13.2 -3.6 24.9 20 14 A R E -A 10 0A 118 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.842 27.5-123.9 -95.0 129.4 12.6 0.1 25.2 21 15 A R - 0 0 144 -12,-3.0 2,-0.3 -2,-0.5 -13,-0.0 -0.591 39.5-178.0 -72.3 127.4 9.6 1.6 23.3 22 16 A T - 0 0 48 -2,-0.3 2,-0.3 217,-0.0 216,-0.1 -0.856 13.4-135.3-132.0 167.3 10.9 4.4 21.1 23 17 A Y - 0 0 89 -2,-0.3 217,-1.9 214,-0.3 216,-0.9 -0.946 1.8-148.0-135.4 144.3 9.4 7.0 18.7 24 18 A S > - 0 0 32 -2,-0.3 3,-0.8 214,-0.2 4,-0.4 -0.444 38.4-105.9 -97.2 167.6 10.0 8.5 15.3 25 19 A L G > S+ 0 0 2 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.887 121.3 61.3 -61.1 -34.8 9.1 12.0 14.1 26 20 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.2 346,-0.0 347,-0.1 0.749 96.9 60.0 -64.8 -23.7 6.2 10.5 12.2 27 21 A D G < S+ 0 0 58 -3,-0.8 346,-2.1 345,-0.1 -1,-0.3 0.630 104.5 55.2 -76.4 -16.6 4.8 9.2 15.5 28 22 A I E < -B 372 0B 12 -3,-1.5 2,-0.3 -4,-0.4 344,-0.2 -0.711 54.9-171.2-120.1 166.1 4.4 12.7 17.0 29 23 A S E -B 371 0B 34 342,-1.9 342,-2.7 -2,-0.2 2,-0.2 -0.979 27.2-113.2-150.8 156.6 2.8 16.1 16.4 30 24 A V E -B 370 0B 38 -2,-0.3 2,-0.4 340,-0.2 340,-0.2 -0.620 31.1-143.8 -94.5 146.7 3.1 19.5 18.0 31 25 A V - 0 0 27 338,-2.1 2,-0.7 -2,-0.2 338,-0.5 -0.930 8.1-138.5-122.0 139.3 0.1 21.0 19.8 32 26 A S + 0 0 62 -2,-0.4 325,-0.1 1,-0.2 326,-0.1 -0.847 39.5 145.6 -97.0 114.9 -1.4 24.5 20.2 33 27 A S + 0 0 86 -2,-0.7 -1,-0.2 324,-0.5 2,-0.1 0.423 56.7 72.1-117.8 -8.1 -2.5 25.1 23.7 34 28 A R S S- 0 0 102 323,-0.5 2,-0.2 322,-0.2 324,-0.1 -0.431 95.2 -76.4-108.8 172.0 -1.6 28.9 23.9 35 29 A R - 0 0 73 323,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.499 62.1-108.8 -64.9 135.0 -2.7 32.3 22.5 36 30 A T - 0 0 102 -2,-0.2 2,-0.2 321,-0.1 320,-0.2 -0.386 32.4-154.0 -70.3 147.4 -1.5 32.4 18.9 37 31 A R - 0 0 106 318,-2.6 2,-0.4 322,-0.1 321,-0.1 -0.586 25.8 -94.9-110.0 174.2 1.4 34.7 18.0 38 32 A S > - 0 0 56 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.822 21.4-136.3 -93.3 134.0 2.2 36.3 14.6 39 33 A S G > S+ 0 0 33 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.796 104.3 66.2 -60.8 -25.6 4.7 34.5 12.4 40 34 A K G 3 S+ 0 0 102 1,-0.3 -1,-0.3 312,-0.0 312,-0.0 0.730 98.9 53.7 -68.3 -18.6 6.4 37.9 11.7 41 35 A D G < S+ 0 0 109 -3,-1.9 2,-0.4 310,-0.1 -1,-0.3 0.406 83.7 109.2 -92.0 0.6 7.4 38.0 15.4 42 36 A V < - 0 0 4 -3,-1.5 2,-0.6 -4,-0.2 319,-0.2 -0.678 59.8-147.1 -87.9 129.0 9.1 34.5 15.4 43 37 A D B +c 361 0C 72 317,-2.9 319,-0.7 -2,-0.4 -2,-0.1 -0.864 22.3 171.6 -94.9 114.9 12.9 34.6 15.7 44 38 A T + 0 0 4 -2,-0.6 -1,-0.1 10,-0.2 317,-0.1 0.189 31.4 135.1-104.9 11.5 14.5 31.7 13.7 45 39 A T - 0 0 31 10,-0.1 2,-0.5 11,-0.1 317,-0.2 -0.321 45.7-146.1 -68.2 146.0 18.1 32.9 14.2 46 40 A W E -D 53 0D 4 7,-2.7 7,-2.9 9,-0.2 2,-0.7 -0.961 10.0-166.4-119.9 108.8 20.7 30.2 15.2 47 41 A H E +D 52 0D 106 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.870 19.4 161.0-100.6 105.1 23.5 31.4 17.4 48 42 A I E > -D 51 0D 0 3,-1.5 3,-2.5 -2,-0.7 170,-0.1 -0.992 61.5 -42.4-129.1 126.6 26.3 28.9 17.6 49 43 A D T 3 S- 0 0 96 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.348 125.6 -22.3 54.8-128.5 29.9 29.6 18.7 50 44 A A T 3 S+ 0 0 84 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.373 121.6 94.4 -91.4 7.8 30.8 33.0 17.1 51 45 A Y E < -D 48 0D 52 -3,-2.5 -3,-1.5 2,-0.0 2,-0.4 -0.655 51.2-166.0-108.1 148.5 28.2 32.7 14.3 52 46 A K E -D 47 0D 133 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.936 13.7-168.2-129.4 112.1 24.6 33.9 13.9 53 47 A F E -D 46 0D 15 -7,-2.9 -7,-2.7 -2,-0.4 26,-0.1 -0.793 24.7-137.2 -99.6 142.8 22.7 32.3 11.0 54 48 A D S S+ 0 0 94 24,-0.4 -10,-0.2 -2,-0.4 25,-0.2 0.805 94.2 37.2 -61.8 -32.6 19.4 33.6 9.8 55 49 A L S S- 0 0 0 23,-2.3 2,-1.4 2,-0.2 -9,-0.2 -0.952 80.2-128.6-123.8 144.6 18.1 30.1 9.6 56 50 A P S S+ 0 0 0 0, 0.0 230,-2.5 0, 0.0 2,-0.4 -0.306 74.6 113.3 -86.5 51.8 18.7 27.0 11.9 57 51 A F E +e 286 0E 0 -2,-1.4 23,-2.5 228,-0.2 2,-0.3 -0.984 40.4 178.1-131.2 138.7 19.7 25.0 8.8 58 52 A X E -ef 287 80E 0 228,-1.8 230,-2.8 -2,-0.4 2,-0.2 -0.936 33.5-116.6-128.5 146.7 22.8 23.3 7.4 59 53 A N E -e 288 0E 0 21,-1.5 230,-0.2 -2,-0.3 228,-0.0 -0.595 33.8-103.6 -78.6 150.5 22.9 21.3 4.2 60 54 A H - 0 0 15 228,-2.0 2,-2.1 -2,-0.2 6,-0.3 -0.584 38.9-117.8 -66.5 131.5 23.8 17.6 4.5 61 55 A P + 0 0 2 0, 0.0 2,-0.4 0, 0.0 246,-0.1 -0.431 67.8 126.6 -80.8 71.4 27.4 17.3 3.2 62 56 A S >> - 0 0 1 -2,-2.1 4,-2.8 20,-0.2 3,-1.8 -0.966 66.5-126.0-118.5 146.6 27.0 15.1 0.2 63 57 A D T 34 S+ 0 0 3 -2,-0.4 236,-0.1 1,-0.3 36,-0.1 0.659 103.3 78.3 -62.0 -21.7 28.2 16.1 -3.3 64 58 A A T 34 S+ 0 0 0 241,-0.5 236,-3.1 235,-0.2 -1,-0.3 0.775 118.7 13.2 -57.8 -28.5 24.7 15.5 -4.6 65 59 A L T <4 S+ 0 0 0 -3,-1.8 234,-1.8 234,-0.2 2,-1.8 0.777 114.3 77.4-102.4 -52.5 24.0 18.9 -3.1 66 60 A A < + 0 0 0 -4,-2.8 18,-0.3 -6,-0.3 -2,-0.1 -0.417 43.2 145.7 -88.6 70.1 27.3 20.5 -2.3 67 61 A S > - 0 0 10 -2,-1.8 4,-2.2 230,-0.3 5,-0.2 -0.432 68.6-101.0 -74.1 163.5 29.1 21.9 -5.2 68 62 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.914 125.9 54.5 -54.4 -40.5 31.1 25.1 -4.3 69 63 A E H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.895 109.3 46.5 -55.0 -50.2 28.2 27.1 -5.9 70 64 A F H > S+ 0 0 0 227,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 110.3 51.7 -63.6 -47.5 25.6 25.4 -3.8 71 65 A V H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.913 111.4 47.9 -56.7 -45.5 27.6 25.8 -0.5 72 66 A I H X S+ 0 0 28 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.923 111.5 50.2 -62.0 -45.5 28.0 29.5 -1.1 73 67 A E H X S+ 0 0 39 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.867 104.7 57.8 -64.7 -34.6 24.3 29.9 -2.0 74 68 A X H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 -1,-0.2 0.931 111.0 43.5 -58.5 -44.3 23.3 28.1 1.3 75 69 A G H ><5S+ 0 0 14 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.919 111.8 52.4 -65.2 -44.7 25.3 30.7 3.2 76 70 A K H 3<5S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.869 107.2 54.6 -58.7 -36.2 23.9 33.6 1.0 77 71 A Q T 3<5S- 0 0 24 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.377 127.5 -95.5 -80.3 -0.0 20.4 32.3 1.8 78 72 A G T < 5S+ 0 0 7 -3,-1.6 -23,-2.3 1,-0.3 -24,-0.4 0.382 90.5 95.6 105.6 -0.6 20.9 32.4 5.6 79 73 A G S -g 148 0E 2 -2,-0.3 3,-0.7 -18,-0.3 5,-0.4 -0.848 18.7-170.7 -89.9 110.6 32.3 16.9 2.0 85 79 A A T 3 S+ 0 0 0 63,-2.5 5,-0.3 -2,-0.8 -1,-0.2 0.790 83.2 47.3 -67.0 -30.0 36.1 16.9 2.1 86 80 A E T 3 S+ 0 0 17 62,-0.4 -1,-0.2 -3,-0.1 63,-0.1 0.228 97.5 77.1-103.8 11.7 36.2 13.2 1.3 87 81 A G S < S- 0 0 0 -3,-0.7 3,-0.5 39,-0.0 4,-0.3 0.239 108.9 -47.6 -90.5-137.0 33.8 12.9 -1.6 88 82 A L S >> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.1 3,-0.8 0.624 110.5 88.5 -74.3 -18.7 34.3 13.9 -5.3 89 83 A W T 34 S+ 0 0 1 -5,-0.4 -1,-0.2 1,-0.3 45,-0.1 0.868 101.6 26.9 -53.7 -48.7 35.8 17.4 -4.7 90 84 A G T 34 S+ 0 0 1 -3,-0.5 37,-2.7 -5,-0.3 -1,-0.3 0.452 119.5 59.9 -90.6 -2.8 39.5 16.3 -4.4 91 85 A R T <4 S+ 0 0 51 -3,-0.8 2,-0.4 -4,-0.3 -2,-0.2 0.659 103.5 40.1-101.8 -20.6 39.1 13.1 -6.5 92 86 A H < - 0 0 37 -4,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.981 59.7-150.7-139.6 120.6 38.0 14.4 -9.9 93 87 A A S S+ 0 0 88 -2,-0.4 2,-0.9 1,-0.2 -1,-0.1 0.836 97.7 50.1 -50.0 -43.4 39.2 17.5 -11.8 94 88 A D > + 0 0 77 1,-0.2 4,-1.8 2,-0.1 -1,-0.2 -0.850 68.2 179.0-106.3 95.9 35.8 17.9 -13.5 95 89 A L H > S+ 0 0 9 -2,-0.9 4,-2.3 2,-0.2 5,-0.2 0.892 79.6 53.0 -65.7 -40.2 33.3 17.6 -10.7 96 90 A D H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 107.4 53.1 -63.8 -38.7 30.2 18.1 -12.9 97 91 A E H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 108.7 49.6 -60.1 -45.0 31.4 15.2 -15.2 98 92 A A H X S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.929 112.3 47.1 -60.9 -48.0 31.7 12.9 -12.1 99 93 A I H >X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 3,-0.6 0.916 108.2 56.8 -58.0 -44.6 28.2 13.8 -10.9 100 94 A A H 3X S+ 0 0 52 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.874 101.9 56.1 -55.9 -40.3 26.9 13.2 -14.5 101 95 A K H 3X S+ 0 0 97 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.834 105.8 50.0 -60.3 -38.4 28.2 9.7 -14.5 102 96 A V H S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.736 134.0 62.9 -66.8 -22.9 20.5 1.7 -8.1 112 106 A A H > S+ 0 0 59 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.910 107.7 39.3 -66.1 -50.4 23.0 -1.2 -8.9 113 107 A A H X S+ 0 0 14 -4,-1.5 4,-2.4 -3,-0.4 -7,-0.2 0.835 115.7 54.1 -68.2 -37.1 24.9 0.7 -11.6 114 108 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 -9,-0.3 -2,-0.2 0.963 110.2 46.2 -61.9 -51.8 24.6 3.9 -9.5 115 109 A T H X S+ 0 0 30 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.925 114.1 48.4 -53.5 -49.5 26.2 2.2 -6.5 116 110 A R H X S+ 0 0 147 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.894 113.1 47.5 -60.1 -42.6 28.9 0.7 -8.6 117 111 A T H X S+ 0 0 35 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 112.5 48.7 -66.9 -44.6 29.7 4.0 -10.3 118 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.914 109.7 53.4 -59.4 -45.0 29.7 5.8 -6.9 119 113 A Q H X S+ 0 0 47 -4,-2.8 4,-1.1 190,-0.2 -2,-0.2 0.941 112.5 44.0 -55.0 -49.0 32.1 3.1 -5.5 120 114 A E H X S+ 0 0 86 -4,-2.2 4,-0.5 2,-0.2 3,-0.2 0.891 112.8 49.8 -64.0 -47.0 34.5 3.6 -8.4 121 115 A L H >< S+ 0 0 10 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.891 112.6 47.4 -61.2 -41.5 34.5 7.4 -8.3 122 116 A H H 3< S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.703 102.0 65.7 -73.5 -21.1 35.1 7.5 -4.6 123 117 A A H 3< S+ 0 0 79 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.612 78.8 102.7 -73.1 -18.0 38.0 4.9 -5.0 124 118 A A S << S- 0 0 24 -3,-0.8 -32,-0.1 -4,-0.5 -3,-0.0 -0.446 88.3 -91.5 -64.3 141.3 40.0 7.5 -7.0 125 119 A P - 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0 0 6 -2,-0.3 4,-0.9 21,-0.2 23,-0.2 -0.498 23.8-120.4 -79.0 153.8 34.8 11.2 8.4 151 145 A P T >4 S+ 0 0 38 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.941 113.9 60.5 -56.8 -41.4 35.7 10.0 11.9 152 146 A Q T 34 S+ 0 0 155 1,-0.2 3,-0.2 2,-0.1 21,-0.0 0.866 118.5 24.0 -50.4 -48.3 38.0 7.5 10.1 153 147 A N T >> S+ 0 0 60 1,-0.1 4,-2.7 -3,-0.1 3,-0.5 0.258 84.1 114.1-110.3 16.1 40.2 10.2 8.5 154 148 A V H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 3,-0.5 0.818 101.5 72.5 -83.6 -34.8 42.3 15.6 6.7 158 152 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.4 5,-0.2 0.899 98.5 48.4 -52.5 -47.4 41.1 18.1 9.3 159 153 A P H 3> S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.847 110.5 52.5 -63.9 -32.0 44.4 20.1 9.3 160 154 A I H <> S+ 0 0 41 -3,-0.5 4,-1.9 -4,-0.5 -2,-0.2 0.938 113.1 42.9 -65.1 -47.4 44.4 20.3 5.4 161 155 A V H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.5 0.808 113.1 51.8 -74.1 -28.9 40.8 21.7 5.3 162 156 A I H ><5S+ 0 0 45 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.936 110.3 49.3 -69.2 -46.7 41.4 24.1 8.2 163 157 A K H 3<5S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.881 107.6 56.0 -56.3 -40.0 44.5 25.4 6.4 164 158 A A T 3<5S- 0 0 8 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.604 135.6 -81.6 -70.6 -15.0 42.3 25.8 3.2 165 159 A G T < 5 + 0 0 15 -3,-1.2 -20,-0.3 -4,-0.5 -3,-0.2 0.448 68.0 160.7 132.2 1.4 39.9 28.0 5.1 166 160 A A < - 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0 0 49 1,-0.1 2,-0.2 -31,-0.1 -31,-0.1 -0.254 360.0-128.4 -64.6 136.0 13.7 23.7 -10.6 327 328 A P - 0 0 10 0, 0.0 -31,-2.2 0, 0.0 -30,-0.2 -0.538 29.8-107.4 -73.9 154.9 12.9 26.1 -7.8 328 329 A S > - 0 0 40 -33,-0.2 4,-2.3 -2,-0.2 3,-0.2 -0.377 24.8-113.5 -69.7 158.8 15.8 28.2 -6.5 329 330 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.907 120.4 60.5 -59.3 -36.4 17.4 27.3 -3.1 330 331 A E H > S+ 0 0 100 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.907 105.6 45.9 -54.9 -46.9 16.0 30.7 -2.1 331 332 A Q H > S+ 0 0 52 3,-0.2 4,-2.1 2,-0.2 14,-1.7 0.909 111.0 52.1 -65.4 -42.3 12.4 29.5 -2.9 332 333 A I H < S+ 0 0 0 -4,-2.3 14,-2.1 12,-0.2 -2,-0.2 0.932 122.0 31.9 -59.5 -42.5 13.0 26.2 -1.1 333 334 A L H < S+ 0 0 0 -4,-2.8 14,-2.7 12,-0.2 15,-0.3 0.845 138.4 15.7 -83.8 -34.3 14.2 28.0 2.1 334 335 A H H < S+ 0 0 48 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.387 96.6 178.9-121.7 -4.2 12.2 31.3 2.0 335 336 A G < - 0 0 9 -4,-2.1 -1,-0.3 -5,-0.4 2,-0.2 -0.268 61.6-148.7 71.9-166.3 9.3 30.8 -0.4 336 337 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.489 53.8-147.0 -64.7 139.0 6.9 31.9 -1.8 337 338 A S + 0 0 51 -2,-0.2 -5,-0.0 7,-0.2 -6,-0.0 -0.668 28.2 178.6 -80.5 135.0 5.8 28.3 -1.8 338 339 A T S S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.256 70.6 72.6-110.1 6.0 3.7 27.0 -4.7 339 340 A X > - 0 0 43 1,-0.1 3,-0.5 0, 0.0 5,-0.3 -0.976 64.7-159.3-123.7 124.2 3.6 23.5 -3.2 340 341 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.534 73.1 89.9 -85.3 7.1 1.5 22.8 -0.0 341 342 A W T 3 S- 0 0 169 1,-0.1 -69,-0.0 -69,-0.0 0, 0.0 0.276 102.8-107.4 -91.8 16.5 3.4 19.6 1.0 342 343 A G S < S+ 0 0 17 -3,-0.5 -70,-2.5 -71,-0.1 -69,-0.1 0.669 89.4 112.9 73.2 20.7 5.9 21.4 3.1 343 344 A V S S+ 0 0 31 -72,-0.2 2,-0.3 -4,-0.1 3,-0.2 0.376 72.8 49.0-107.7 4.8 9.0 21.0 0.8 344 345 A E S S+ 0 0 6 -5,-0.3 -12,-0.2 1,-0.2 -11,-0.2 -0.927 102.2 29.7-135.9 162.3 9.3 24.8 -0.0 345 346 A N > + 0 0 35 -14,-1.7 4,-2.2 -2,-0.3 -12,-0.2 0.943 62.9 172.5 49.6 55.5 9.4 27.9 2.2 346 347 A F H > S+ 0 0 1 -14,-2.1 4,-2.3 1,-0.2 5,-0.2 0.875 76.8 54.3 -56.4 -40.5 11.0 25.9 5.1 347 348 A E H > S+ 0 0 42 -14,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.922 108.0 49.1 -57.5 -48.1 11.4 29.2 7.0 348 349 A G H > S+ 0 0 10 -15,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.873 111.3 48.5 -61.8 -44.7 7.7 30.1 6.6 349 350 A G H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.937 112.3 48.9 -63.0 -43.9 6.5 26.7 7.8 350 351 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.937 114.6 44.5 -61.1 -47.1 8.8 26.8 10.8 351 352 A K H X S+ 0 0 40 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 113.9 49.4 -67.3 -39.6 7.7 30.3 11.8 352 353 A R H X S+ 0 0 159 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.889 110.6 50.3 -67.4 -39.9 4.0 29.6 11.2 353 354 A A H X S+ 0 0 24 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.951 112.9 45.6 -62.3 -50.7 4.2 26.4 13.3 354 355 A L H X>S+ 0 0 0 -4,-2.2 5,-2.8 -5,-0.2 4,-0.6 0.944 115.1 48.2 -54.9 -49.3 5.9 28.2 16.2 355 356 A A H ><5S+ 0 0 4 -4,-2.5 -318,-2.6 1,-0.2 3,-1.2 0.896 109.4 51.6 -61.5 -44.7 3.4 31.2 16.0 356 357 A K H 3<5S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.6 48.9 -61.9 -33.7 0.4 28.9 15.9 357 358 A C H 3<5S- 0 0 7 -4,-1.8 -324,-0.5 -5,-0.2 -323,-0.5 0.556 123.0-105.5 -84.2 -5.4 1.7 27.1 19.0 358 359 A G T <<5S+ 0 0 2 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.618 78.4 122.7 91.3 22.1 2.3 30.4 20.8 359 360 A Y < - 0 0 24 -5,-2.8 -1,-0.3 -6,-0.2 -322,-0.1 -0.840 39.8-173.4-117.6 150.2 6.1 30.6 20.6 360 361 A T S S+ 0 0 54 -2,-0.3 -317,-2.9 1,-0.1 2,-0.3 0.256 70.7 44.8-124.6 5.2 8.4 33.2 19.2 361 362 A D B > S-c 43 0C 50 -319,-0.2 4,-1.3 1,-0.1 -317,-0.1 -0.994 73.8-123.4-147.5 159.2 11.8 31.5 19.5 362 363 A L H > S+ 0 0 12 -319,-0.7 4,-0.6 -2,-0.3 -1,-0.1 0.841 105.8 52.9 -66.0 -41.8 13.3 28.1 18.8 363 364 A K H >4 S+ 0 0 88 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.941 109.6 48.6 -62.4 -45.8 14.7 27.3 22.3 364 365 A S H >4 S+ 0 0 53 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.845 101.4 66.1 -61.0 -35.4 11.4 28.0 24.0 365 366 A F H >< S+ 0 0 0 -4,-1.3 3,-2.0 1,-0.3 -1,-0.3 0.688 79.8 80.3 -63.4 -19.5 9.6 25.7 21.4 366 367 A Q T << S+ 0 0 28 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.564 91.7 52.7 -63.4 -10.1 11.5 22.7 22.8 367 368 A K T < S+ 0 0 126 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.303 80.1 131.9-104.9 6.4 8.9 22.7 25.6 368 369 A V < - 0 0 8 -3,-2.0 -336,-0.1 1,-0.1 2,-0.1 -0.230 67.7 -97.4 -57.6 147.1 5.8 22.7 23.3 369 370 A S - 0 0 61 -338,-0.5 -338,-2.1 -12,-0.1 2,-0.3 -0.399 43.7-152.7 -64.3 143.5 3.1 20.1 24.1 370 371 A L E -B 30 0B 77 -340,-0.2 2,-0.3 -3,-0.1 -340,-0.2 -0.913 11.2-155.5-122.0 146.8 3.3 16.9 22.0 371 372 A H E -B 29 0B 102 -342,-2.7 -342,-1.9 -2,-0.3 2,-0.5 -0.895 8.8-149.4-112.8 148.3 0.8 14.3 20.9 372 373 A V E B 28 0B 92 -2,-0.3 -344,-0.2 -344,-0.2 -345,-0.1 -0.996 360.0 360.0-117.6 118.0 1.7 10.7 20.0 373 374 A N 0 0 160 -346,-2.1 -2,-0.0 -2,-0.5 0, 0.0 -0.790 360.0 360.0-109.0 360.0 -0.7 9.4 17.2