==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-MAR-10 3M0H . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,K.TAKEDA,K.IZUMORI,S.KAMITORI . 1685 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1194 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 1.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 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 . 92 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 701 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.0 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 0 0 0 0 12 5 7 8 4 0 0 3 5 4 0 0 0 8 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 10 10 0 18 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 . 9 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 3 0 0 0 0 2 2 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 4 A F 0 0 164 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 115.2 -39.0 2.2 -18.8 2 5 A R + 0 0 37 1,-0.1 2,-0.5 81,-0.1 82,-0.1 0.858 360.0 46.6 -64.6 -36.5 -37.7 4.8 -16.4 3 6 A I S S- 0 0 2 81,-0.1 -1,-0.1 404,-0.0 5,-0.1 -0.939 102.4-108.8-110.3 126.7 -34.2 3.8 -17.3 4 7 A A >> - 0 0 47 -2,-0.5 4,-1.7 1,-0.1 3,-0.9 -0.269 20.1-137.3 -54.3 130.8 -33.4 3.4 -21.0 5 8 A Q H 3> S+ 0 0 120 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.820 102.1 61.5 -61.2 -31.9 -32.9 -0.3 -21.9 6 9 A D H 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.814 104.2 49.8 -66.3 -27.8 -29.9 0.5 -24.0 7 10 A V H <> S+ 0 0 14 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.921 112.0 46.3 -74.3 -44.9 -28.1 1.8 -20.9 8 11 A V H X S+ 0 0 13 -4,-1.7 4,-2.2 1,-0.2 389,-0.3 0.923 114.8 49.0 -61.9 -43.0 -29.0 -1.3 -18.9 9 12 A A H X S+ 0 0 45 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.933 112.2 46.8 -62.4 -48.3 -27.9 -3.4 -21.9 10 13 A R H X S+ 0 0 112 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.911 114.3 46.7 -62.0 -44.1 -24.6 -1.6 -22.3 11 14 A E H X S+ 0 0 14 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.849 113.2 49.3 -68.8 -33.2 -23.7 -1.6 -18.6 12 15 A N H X S+ 0 0 23 -4,-2.2 4,-0.6 -5,-0.2 3,-0.5 0.914 111.6 49.0 -70.4 -42.4 -24.6 -5.3 -18.3 13 16 A D H >< S+ 0 0 117 -4,-2.6 3,-0.9 1,-0.2 4,-0.5 0.890 105.3 58.8 -62.7 -39.1 -22.5 -6.2 -21.4 14 17 A R H 3< S+ 0 0 154 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.816 117.1 32.9 -59.5 -30.7 -19.6 -4.2 -19.9 15 18 A R H 3X S+ 0 0 61 -4,-0.9 4,-2.1 -3,-0.5 -1,-0.2 0.329 89.6 100.2-109.8 6.4 -19.7 -6.4 -16.8 16 19 A A H S+ 0 0 86 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.940 112.3 44.7 -60.9 -49.9 -17.3 -11.3 -18.6 18 21 A A H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 112.5 52.0 -62.5 -42.3 -16.5 -10.7 -14.9 19 22 A L H X S+ 0 0 15 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.918 108.6 51.8 -60.7 -43.3 -19.9 -11.9 -13.8 20 23 A K H X S+ 0 0 112 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.952 111.9 45.7 -57.6 -51.9 -19.4 -15.1 -15.8 21 24 A E H X S+ 0 0 86 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.906 117.5 42.9 -59.5 -45.1 -16.1 -15.8 -14.2 22 25 A D H X S+ 0 0 39 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.899 115.3 47.8 -70.6 -41.1 -17.3 -15.0 -10.7 23 26 A Y H X S+ 0 0 31 -4,-3.2 4,-2.7 -5,-0.2 -2,-0.2 0.932 114.1 46.7 -65.8 -45.6 -20.6 -16.9 -11.0 24 27 A E H X S+ 0 0 95 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.881 112.5 49.8 -64.9 -38.1 -19.0 -20.0 -12.5 25 28 A A H X S+ 0 0 35 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.933 113.8 45.7 -66.0 -44.2 -16.2 -20.0 -9.8 26 29 A L H X S+ 0 0 18 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.893 109.7 56.0 -64.8 -38.2 -18.8 -19.7 -7.1 27 30 A G H X S+ 0 0 14 -4,-2.7 4,-2.0 1,-0.2 10,-0.3 0.884 108.1 47.2 -61.0 -39.4 -20.9 -22.4 -8.8 28 31 A A H X S+ 0 0 40 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 112.7 49.6 -68.6 -41.8 -18.0 -24.8 -8.7 29 32 A N H X S+ 0 0 26 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.933 112.0 47.3 -63.1 -46.4 -17.3 -24.0 -5.0 30 33 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 3,-0.8 0.892 108.9 55.4 -62.8 -38.9 -20.9 -24.4 -4.0 31 34 A A H ><5S+ 0 0 61 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.910 103.2 54.4 -60.2 -43.1 -21.0 -27.7 -5.9 32 35 A R H 3<5S+ 0 0 108 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.719 108.9 51.0 -62.9 -19.5 -18.1 -29.0 -3.9 33 36 A R T <<5S- 0 0 82 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.329 125.4-104.3 -98.3 3.9 -20.2 -28.2 -0.9 34 37 A G T < 5S+ 0 0 71 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.724 80.6 127.2 80.6 22.8 -23.2 -30.1 -2.2 35 38 A V < - 0 0 35 -5,-2.8 2,-0.9 -6,-0.1 -1,-0.3 -0.932 55.4-139.6-117.1 136.8 -25.1 -27.0 -3.2 36 39 A D >> - 0 0 101 -2,-0.4 4,-1.5 1,-0.2 3,-1.0 -0.831 9.1-159.2 -94.5 106.1 -26.7 -26.3 -6.6 37 40 A I H 3> S+ 0 0 18 -2,-0.9 4,-2.6 -10,-0.3 5,-0.2 0.822 91.3 59.7 -54.1 -32.8 -26.0 -22.6 -7.4 38 41 A E H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.879 101.8 52.6 -64.8 -36.9 -28.9 -22.7 -9.9 39 42 A A H <> S+ 0 0 53 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.883 111.4 46.7 -65.4 -38.0 -31.3 -23.7 -7.2 40 43 A V H X S+ 0 0 9 -4,-1.5 4,-2.7 2,-0.2 3,-0.5 0.939 111.6 49.6 -69.3 -47.7 -30.2 -20.8 -5.0 41 44 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.887 107.0 56.5 -58.8 -40.0 -30.4 -18.2 -7.9 42 45 A A H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 112.2 41.5 -62.2 -33.9 -33.9 -19.5 -8.8 43 46 A K H >< S+ 0 0 82 -4,-1.1 3,-1.1 -3,-0.5 4,-0.2 0.870 112.5 54.3 -80.8 -38.4 -35.1 -18.7 -5.2 44 47 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.895 101.7 57.3 -62.2 -40.9 -33.2 -15.4 -5.0 45 48 A E T 3< S+ 0 0 31 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.637 107.9 50.5 -67.5 -9.8 -34.8 -14.1 -8.2 46 49 A K T < S+ 0 0 133 -3,-1.1 2,-0.6 -5,-0.2 -1,-0.3 0.362 83.3 106.9-106.4 1.6 -38.2 -14.6 -6.5 47 50 A F < - 0 0 16 -3,-1.7 2,-0.3 -4,-0.2 297,-0.1 -0.742 49.7-175.9 -87.2 120.5 -37.5 -12.9 -3.2 48 51 A F - 0 0 83 -2,-0.6 2,-0.4 44,-0.1 44,-0.2 -0.884 15.3-172.4-120.5 147.3 -39.3 -9.5 -3.0 49 52 A V - 0 0 3 42,-2.6 273,-0.3 -2,-0.3 45,-0.2 -1.000 29.8-114.8-136.2 133.4 -39.3 -6.7 -0.4 50 53 A A B -a 322 0A 2 271,-3.0 273,-2.8 -2,-0.4 45,-0.2 -0.440 23.4-135.5 -71.5 138.9 -41.6 -3.7 -0.5 51 54 A V E -h 95 0B 0 43,-2.3 45,-2.8 271,-0.2 2,-0.4 -0.785 19.7-123.5 -95.1 134.7 -40.1 -0.3 -1.0 52 55 A P E > -h 96 0B 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.634 4.6-147.3 -80.6 129.6 -41.4 2.6 1.2 53 56 A S G > S+ 0 0 0 43,-2.1 3,-1.2 -2,-0.4 4,-0.4 0.871 102.0 57.6 -61.4 -34.7 -42.9 5.6 -0.5 54 57 A W G 3 S+ 0 0 21 42,-0.3 -1,-0.3 1,-0.2 43,-0.1 0.525 99.0 61.0 -74.3 -4.4 -41.5 7.7 2.3 55 58 A G G < S+ 0 0 0 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.556 87.3 71.1 -98.0 -9.3 -38.0 6.4 1.6 56 59 A V S < S+ 0 0 1 -3,-1.2 2,-0.3 -4,-0.4 277,-0.2 0.725 92.9 62.3 -79.0 -23.5 -37.8 7.8 -1.9 57 60 A G S S- 0 0 11 -4,-0.4 270,-0.5 275,-0.1 2,-0.1 -0.682 104.7 -88.0 -98.2 157.9 -37.5 11.4 -0.8 58 61 A T B -j 327 0C 6 -2,-0.3 270,-0.2 268,-0.1 -1,-0.1 -0.403 46.2-145.8 -66.3 138.3 -34.6 12.6 1.4 59 62 A G - 0 0 7 268,-2.0 7,-0.6 -4,-0.1 2,-0.3 -0.265 13.8-163.9 -94.7-174.7 -35.2 12.2 5.1 60 63 A G B -K 65 0D 19 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.953 15.2-118.9-159.5 175.7 -34.1 14.3 8.0 61 64 A T - 0 0 22 3,-2.5 3,-0.2 -2,-0.3 422,-0.0 -0.555 46.0 -91.8-113.3-179.9 -33.7 14.4 11.8 62 65 A R S S+ 0 0 64 1,-0.2 3,-0.1 -2,-0.2 420,-0.1 0.685 126.6 53.7 -68.9 -12.5 -35.3 16.7 14.4 63 66 A F S S- 0 0 36 1,-0.3 2,-0.3 537,-0.0 -1,-0.2 0.810 122.1 -32.4 -89.7 -33.7 -32.3 19.0 13.8 64 67 A A - 0 0 21 -3,-0.2 -3,-2.5 487,-0.1 2,-0.4 -0.972 40.6-133.9-178.0 163.5 -32.4 19.4 10.1 65 68 A R B -K 60 0D 117 -2,-0.3 487,-0.2 -5,-0.2 -5,-0.2 -0.998 12.3-165.1-131.8 132.1 -33.2 18.1 6.6 66 69 A F - 0 0 31 -7,-0.6 -7,-0.1 -2,-0.4 -2,-0.0 -0.749 17.6-158.0-119.9 81.4 -30.8 18.5 3.7 67 70 A P - 0 0 61 0, 0.0 2,-0.1 0, 0.0 494,-0.1 -0.183 3.1-144.4 -61.2 149.9 -32.8 17.7 0.5 68 71 A G - 0 0 34 1,-0.2 3,-0.5 262,-0.1 2,-0.2 -0.178 37.4 -68.7 -96.3-164.6 -31.0 16.7 -2.7 69 72 A T S S+ 0 0 89 1,-0.2 -1,-0.2 -2,-0.1 344,-0.1 -0.524 110.9 23.9 -88.3 157.3 -32.0 17.5 -6.2 70 73 A G S S- 0 0 6 343,-0.4 -1,-0.2 346,-0.4 343,-0.1 0.847 75.7-177.0 60.4 37.3 -35.1 16.2 -7.9 71 74 A E - 0 0 31 -3,-0.5 -1,-0.2 345,-0.2 -14,-0.1 -0.437 38.3 -95.2 -65.2 139.0 -37.1 15.5 -4.7 72 75 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.277 23.7-146.9 -57.9 139.2 -40.4 13.9 -5.6 73 76 A R S S- 0 0 151 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.783 70.7 -40.7 -76.5 -29.8 -43.4 16.3 -5.8 74 77 A G S > S- 0 0 31 28,-0.0 4,-1.9 1,-0.0 3,-0.2 -0.904 86.5 -48.9-171.8-162.4 -45.8 13.7 -4.5 75 78 A I H > S+ 0 0 11 26,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.845 126.4 56.2 -61.4 -36.8 -46.8 10.1 -4.6 76 79 A F H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 109.4 45.7 -65.0 -39.0 -46.9 9.9 -8.4 77 80 A D H > S+ 0 0 9 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 112.0 53.5 -67.9 -37.2 -43.2 11.1 -8.6 78 81 A K H X S+ 0 0 36 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.888 106.8 50.6 -64.6 -39.0 -42.4 8.6 -5.8 79 82 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.905 107.6 54.3 -65.3 -40.2 -44.0 5.8 -7.8 80 83 A D H X S+ 0 0 20 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.896 110.9 45.5 -59.6 -40.3 -41.9 6.8 -10.8 81 84 A D H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.876 109.2 54.4 -71.7 -36.8 -38.8 6.5 -8.7 82 85 A C H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.856 101.3 61.0 -63.5 -32.7 -39.8 3.2 -7.2 83 86 A A H 3X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.826 101.7 52.8 -62.8 -31.3 -40.2 2.0 -10.8 84 87 A V H S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.5 0.913 114.9 44.9 -58.5 -44.7 -35.5 0.6 -8.2 86 89 A Q H X5S+ 0 0 25 -4,-2.4 4,-2.1 6,-0.2 -1,-0.2 0.914 111.1 52.4 -67.4 -44.1 -37.7 -2.3 -9.4 87 90 A Q H <5S+ 0 0 16 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.917 118.8 36.4 -58.9 -42.7 -36.4 -2.1 -13.0 88 91 A L H <5S+ 0 0 0 -4,-2.4 308,-2.7 307,-0.2 -2,-0.2 0.871 132.0 24.7 -81.2 -39.2 -32.8 -2.2 -11.8 89 92 A T H <5S- 0 0 1 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.732 79.6-153.1 -96.7 -27.4 -32.9 -4.6 -8.8 90 93 A R S < -b 124 0A 16 -2,-0.3 4,-3.5 25,-0.2 5,-0.2 -0.991 24.6-113.9-127.7 125.4 -48.6 6.0 3.8 99 102 A I T 4 S+ 0 0 1 25,-2.7 27,-0.2 -2,-0.4 62,-0.1 -0.883 91.1 9.8-107.4 139.6 -51.8 7.9 4.3 100 103 A P T >4 S+ 0 0 37 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.984 123.3 62.9 -84.4 2.1 -52.3 10.9 4.2 101 104 A W T 34 S+ 0 0 119 1,-0.3 -26,-0.3 -27,-0.0 -2,-0.2 0.912 117.9 30.4 -51.9 -45.2 -48.9 11.6 2.8 102 105 A D T 3< S+ 0 0 1 -4,-3.5 -1,-0.3 -28,-0.1 -3,-0.2 0.173 86.8 146.6-100.3 17.0 -49.7 9.6 -0.4 103 106 A K < + 0 0 117 -3,-1.7 2,-0.3 -5,-0.2 -28,-0.2 -0.326 19.9 126.7 -60.0 129.5 -53.4 10.3 -0.4 104 107 A A - 0 0 28 -2,-0.1 -2,-0.1 -29,-0.1 5,-0.0 -0.949 69.0 -49.9-167.5 174.8 -54.8 10.5 -3.9 105 108 A D >> - 0 0 69 -2,-0.3 4,-2.2 1,-0.2 3,-0.8 -0.449 48.1-143.4 -62.1 116.2 -57.5 9.0 -6.1 106 109 A P H 3> S+ 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 99.9 55.1 -48.8 -41.6 -57.2 5.2 -5.7 107 110 A K H 3> S+ 0 0 171 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 109.8 47.0 -61.4 -38.7 -58.1 4.6 -9.3 108 111 A E H <> S+ 0 0 106 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.870 110.9 50.8 -70.8 -38.6 -55.2 6.9 -10.3 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.961 112.9 46.2 -62.2 -50.3 -52.7 5.2 -7.9 110 113 A K H X S+ 0 0 77 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.884 111.4 53.1 -58.4 -41.7 -53.7 1.8 -9.3 111 114 A A H X S+ 0 0 56 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.914 111.9 43.6 -62.0 -45.3 -53.4 3.1 -12.9 112 115 A R H X S+ 0 0 80 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.911 113.2 52.7 -67.5 -42.3 -49.9 4.5 -12.4 113 116 A G H X>S+ 0 0 0 -4,-2.8 5,-3.1 -5,-0.2 4,-0.9 0.959 111.5 45.3 -57.1 -52.1 -48.8 1.4 -10.5 114 117 A D H ><5S+ 0 0 90 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.888 110.4 54.5 -59.4 -41.0 -50.0 -0.9 -13.3 115 118 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 113.7 41.9 -62.8 -32.7 -48.4 1.3 -15.9 116 119 A L H 3<5S- 0 0 46 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.516 115.9-111.4 -92.6 -6.6 -45.1 1.1 -14.2 117 120 A G T <<5S+ 0 0 52 -4,-0.9 2,-0.3 -3,-0.6 -3,-0.2 0.834 74.1 133.8 78.8 33.0 -45.3 -2.7 -13.4 118 121 A L < - 0 0 7 -5,-3.1 -1,-0.3 -6,-0.2 -24,-0.2 -0.876 36.9-165.2-118.7 150.6 -45.7 -2.0 -9.7 119 122 A G E -i 94 0B 22 -26,-2.9 -24,-2.2 -2,-0.3 2,-0.4 -0.556 23.8-107.0-118.5-174.7 -48.1 -3.4 -7.0 120 123 A F E -i 95 0B 17 -26,-0.3 -24,-0.2 48,-0.2 51,-0.1 -0.968 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360.0 0.0 0.0 0.0 423 4 B F 0 0 161 0, 0.0 83,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 131.2 -43.2 42.6 35.5 424 5 B R + 0 0 35 1,-0.2 2,-0.5 114,-0.1 82,-0.1 0.889 360.0 42.4 -64.0 -38.4 -44.4 39.8 33.3 425 6 B I S S- 0 0 3 81,-0.0 -1,-0.2 2,-0.0 5,-0.1 -0.945 103.2-109.4-111.4 127.0 -46.4 38.5 36.3 426 7 B A >> - 0 0 46 -2,-0.5 4,-1.8 1,-0.1 3,-0.8 -0.275 20.0-134.5 -55.9 134.0 -48.2 41.1 38.4 427 8 B Q H 3> S+ 0 0 120 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.846 104.4 58.9 -60.1 -35.6 -46.6 41.6 41.8 428 9 B D H 3> S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.823 105.6 50.3 -65.1 -28.9 -50.0 41.5 43.6 429 10 B V H <> S+ 0 0 22 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.907 111.3 47.4 -73.3 -43.0 -50.5 38.0 42.1 430 11 B V H X S+ 0 0 10 -4,-1.8 4,-1.2 2,-0.2 389,-0.2 0.944 114.9 46.7 -62.2 -46.8 -47.1 36.8 43.3 431 12 B A H X S+ 0 0 47 -4,-3.0 4,-2.8 1,-0.2 3,-0.5 0.932 113.4 48.8 -60.4 -46.6 -47.8 38.3 46.8 432 13 B R H X S+ 0 0 108 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.909 112.5 46.6 -61.3 -44.6 -51.3 36.8 46.9 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0.915 113.1 52.9 -71.1 -41.7 -15.4 -1.1 2.4 1645 378 D K H 3X S+ 0 0 7 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.830 99.5 61.2 -63.1 -33.4 -18.0 -3.7 1.8 1646 379 D R H 3< S+ 0 0 97 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.865 111.8 40.3 -62.7 -32.0 -16.4 -4.9 -1.4 1647 380 D A H X< S+ 0 0 1 -4,-0.8 3,-1.1 -3,-0.6 -2,-0.2 0.945 117.4 47.1 -78.0 -50.9 -13.3 -5.8 0.7 1648 381 D Y H 3< S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.831 107.8 55.6 -60.2 -37.2 -15.3 -7.2 3.6 1649 382 D R T 3< S+ 0 0 34 -4,-3.1 2,-0.3 -5,-0.2 -1,-0.3 0.680 84.3 106.2 -71.3 -17.0 -17.6 -9.4 1.4 1650 383 D T S < S- 0 0 3 -3,-1.1 2,-1.1 -4,-0.4 -28,-0.1 -0.479 74.2-132.2 -68.2 126.1 -14.6 -11.1 -0.1 1651 384 D D + 0 0 40 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.692 29.2 176.6 -81.0 101.1 -14.2 -14.6 1.1 1652 385 D V >> + 0 0 0 -2,-1.1 4,-2.1 1,-0.2 3,-0.9 0.280 44.9 111.7 -90.4 11.4 -10.5 -14.7 2.0 1653 386 D E H 3> S+ 0 0 44 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.872 73.6 57.1 -53.6 -40.1 -10.5 -18.2 3.4 1654 387 D P H 3> S+ 0 0 13 0, 0.0 4,-2.3 0, 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-3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.483 91.1 114.1 97.3 3.2 3.6 -25.5 8.1 1665 398 D G < - 0 0 0 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.123 68.2 -84.3 -94.0-166.6 0.1 -25.3 9.3 1666 399 D A - 0 0 0 -308,-2.5 -5,-0.1 1,-0.1 -6,-0.1 -0.823 16.7-138.3-107.0 142.1 -3.2 -27.0 8.3 1667 400 D V S S+ 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.920 109.4 22.0 -58.8 -45.5 -5.6 -26.1 5.5 1668 401 D D S > S- 0 0 40 1,-0.2 4,-2.4 -387,-0.1 -1,-0.3 -0.858 80.7-170.5-125.1 91.0 -8.5 -26.7 7.8 1669 402 D P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.886 83.0 43.6 -49.0 -54.3 -7.1 -26.4 11.4 1670 403 D V H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 113.0 53.1 -65.0 -37.8 -10.0 -27.7 13.4 1671 404 D A H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 112.7 44.3 -61.7 -44.1 -10.6 -30.5 10.9 1672 405 D T H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 111.0 55.1 -66.6 -40.5 -7.0 -31.6 11.3 1673 406 D Y H X>S+ 0 0 4 -4,-2.6 5,-1.0 -5,-0.2 4,-0.8 0.925 112.1 42.6 -58.0 -47.0 -7.2 -31.1 15.1 1674 407 D R H ><5S+ 0 0 95 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.906 111.6 54.3 -68.0 -40.0 -10.1 -33.5 15.3 1675 408 D A H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.5 56.5 -62.5 -30.8 -8.6 -36.0 12.9 1676 409 D S H 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.745 99.6-138.3 -72.9 -24.5 -5.5 -36.1 15.1 1677 410 D G T < + 0 0 2 -5,-1.0 4,-2.8 1,-0.2 5,-0.3 0.879 65.9 52.6 -54.6 -46.0 -5.5 -34.7 20.3 1679 412 D R H > S+ 0 0 37 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.916 111.3 46.5 -59.7 -43.2 -8.3 -34.0 22.8 1680 413 D A H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 111.5 54.7 -65.7 -35.3 -8.9 -37.7 23.3 1681 414 D R H X S+ 0 0 93 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.963 111.8 40.3 -62.1 -54.5 -5.1 -38.1 23.7 1682 415 D V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.771 109.4 61.5 -68.2 -24.5 -4.8 -35.5 26.4 1683 416 D A H < S+ 0 0 30 -4,-1.8 -343,-0.3 -5,-0.3 -1,-0.2 0.922 108.9 43.2 -65.2 -40.7 -8.0 -36.8 28.1 1684 417 D A H < S+ 0 0 83 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.825 116.7 46.7 -71.9 -33.5 -6.2 -40.1 28.5 1685 418 D E H < S+ 0 0 91 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.729 115.4 47.2 -79.9 -25.0 -3.0 -38.4 29.6 1686 419 D R S < S- 0 0 7 -4,-2.2 -346,-0.4 -5,-0.2 -345,-0.3 -0.580 78.0-173.4-118.5 67.8 -4.8 -36.1 32.1 1687 420 D P 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.308 360.0 360.0 -61.7 144.0 -7.2 -38.3 34.0 1688 421 D A 0 0 151 -5,-0.1 -2,-0.0 0, 0.0 -5,-0.0 -0.422 360.0 360.0-131.1 360.0 -9.5 -36.4 36.3