==== 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 OXIDOREDUCTASE/LYASE 20-JUN-10 3NKL . COMPND 2 MOLECULE: UDP-D-QUINOVOSAMINE 4-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; . AUTHOR Y.KIM,J.MACK,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 245 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.9 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 . 2 0.8 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 . 14 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 4 0 0 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 4 0 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 PARALLEL BRIDGES PER LADDER . 0 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 . 2 0 0 0 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 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 0 A A 0 0 154 0, 0.0 3,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 157.2 -10.2 25.9 26.8 2 1 A K - 0 0 58 1,-0.1 2,-0.3 25,-0.1 25,-0.2 -0.300 360.0 -93.6 -65.5 152.2 -7.3 24.7 24.9 3 2 A K E -a 27 0A 83 23,-1.9 25,-3.0 1,-0.1 2,-0.2 -0.514 43.5-123.3 -62.0 126.0 -7.8 22.6 21.7 4 3 A K E +a 28 0A 100 -2,-0.3 61,-0.6 23,-0.2 62,-0.6 -0.522 37.8 175.6 -77.3 138.2 -7.7 18.9 22.6 5 4 A V E -ab 29 66A 0 23,-2.4 25,-3.1 -2,-0.2 26,-0.7 -0.924 29.9-137.6-134.1 157.4 -5.2 16.8 20.8 6 5 A L E -ab 31 67A 0 60,-1.1 62,-2.7 -2,-0.3 2,-0.5 -0.900 22.0-142.5 -99.7 148.2 -3.8 13.3 20.6 7 6 A I E -ab 32 68A 0 24,-1.9 26,-2.4 -2,-0.4 2,-0.8 -0.967 7.8-150.0-109.4 122.2 -0.0 13.0 20.2 8 7 A Y E S+ab 33 69A 6 60,-3.3 62,-2.9 -2,-0.5 26,-0.2 -0.839 73.0 43.9 -95.4 107.7 1.0 10.1 17.9 9 8 A G - 0 0 2 24,-3.3 25,-0.2 -2,-0.8 62,-0.1 0.274 54.5-164.8 122.2 106.5 4.4 9.0 19.1 10 9 A A + 0 0 0 4,-0.1 24,-0.1 22,-0.1 61,-0.1 -0.166 55.9 111.6-110.3 38.6 5.3 8.5 22.8 11 10 A G S > S- 0 0 25 59,-0.5 4,-2.3 186,-0.0 5,-0.3 -0.094 94.2 -67.8 -86.9-161.5 9.1 8.4 22.2 12 11 A S H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 135.0 47.6 -60.7 -47.8 11.4 11.2 23.4 13 12 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 112.4 47.9 -60.3 -48.1 10.1 13.8 21.0 14 13 A G H > S+ 0 0 0 56,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.895 112.4 48.2 -61.5 -42.3 6.4 13.1 21.8 15 14 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.920 113.0 48.3 -66.6 -41.9 6.8 13.2 25.5 16 15 A Q H X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.902 111.1 52.2 -63.2 -40.2 8.8 16.4 25.2 17 16 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.928 108.3 49.5 -60.2 -46.7 6.0 17.8 23.0 18 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.935 110.6 51.8 -59.9 -42.6 3.3 16.9 25.5 19 18 A N H X S+ 0 0 22 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.938 112.5 44.4 -59.6 -47.8 5.4 18.6 28.3 20 19 A X H X S+ 0 0 61 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.924 113.5 50.2 -63.3 -44.9 5.7 21.8 26.2 21 20 A L H < S+ 0 0 18 -4,-2.9 6,-0.3 1,-0.2 5,-0.2 0.891 105.1 56.8 -63.6 -40.7 2.1 21.9 25.1 22 21 A R H < S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 110.0 46.1 -55.4 -41.4 0.8 21.4 28.7 23 22 A Q H < S+ 0 0 135 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.772 107.6 75.1 -72.4 -27.7 2.7 24.5 29.7 24 23 A G S < S- 0 0 33 -4,-1.3 -3,-0.1 -3,-0.2 -4,-0.0 0.011 81.5-121.9 -82.6-173.0 1.5 26.5 26.7 25 24 A K S S+ 0 0 206 -24,-0.0 3,-0.1 1,-0.0 -3,-0.1 0.265 92.3 62.2-115.3 9.0 -1.8 28.1 25.8 26 25 A E S S+ 0 0 128 -5,-0.2 -23,-1.9 1,-0.2 2,-0.3 0.880 97.5 26.4-106.2 -48.4 -2.7 26.3 22.6 27 26 A F E -a 3 0A 5 -6,-0.3 -1,-0.2 -25,-0.2 -23,-0.2 -0.908 51.6-150.8-125.5 148.0 -3.2 22.6 22.9 28 27 A H E -a 4 0A 80 -25,-3.0 -23,-2.4 -2,-0.3 2,-0.6 -0.939 19.6-142.4-116.2 111.2 -4.2 20.1 25.6 29 28 A P E +a 5 0A 3 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.565 22.1 177.2 -71.2 113.7 -2.7 16.6 25.1 30 29 A I E - 0 0 27 -25,-3.1 18,-0.5 -2,-0.6 2,-0.3 0.856 61.1 -24.7 -90.1 -32.3 -5.4 14.2 26.1 31 30 A A E -a 6 0A 2 -26,-0.7 -24,-1.9 16,-0.2 -1,-0.3 -0.971 59.5-113.9-165.5 166.9 -3.5 10.9 25.4 32 31 A F E -ac 7 49A 0 16,-2.7 18,-2.2 -2,-0.3 2,-0.4 -0.820 13.2-152.2-105.8 153.2 -0.7 9.4 23.2 33 32 A I E +ac 8 50A 0 -26,-2.4 -24,-3.3 -2,-0.3 2,-0.3 -0.957 23.8 170.7-112.8 142.6 -1.0 6.8 20.5 34 33 A D - 0 0 21 16,-2.3 5,-0.1 -2,-0.4 -26,-0.0 -0.971 38.0-140.3-152.9 138.2 2.1 4.7 20.0 35 34 A D S S+ 0 0 34 -2,-0.3 2,-0.8 16,-0.2 16,-0.1 0.643 75.7 104.6 -68.9 -15.5 2.8 1.5 17.9 36 35 A D > - 0 0 52 1,-0.2 3,-2.0 14,-0.1 4,-0.5 -0.572 59.1-159.3 -76.9 106.3 4.9 0.0 20.7 37 36 A R G > S+ 0 0 184 -2,-0.8 3,-1.1 1,-0.3 -1,-0.2 0.783 88.1 65.0 -53.9 -31.5 2.8 -2.7 22.3 38 37 A K G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.723 101.6 49.5 -67.9 -22.0 4.9 -2.5 25.5 39 38 A K G X S+ 0 0 31 -3,-2.0 3,-2.4 -5,-0.1 10,-0.3 0.493 79.6 129.7 -91.4 -6.1 3.7 1.1 26.1 40 39 A H T < S- 0 0 46 -3,-1.1 10,-0.2 -4,-0.5 3,-0.1 -0.307 84.6 -2.2 -56.2 125.0 0.0 0.2 25.7 41 40 A K T 3 S+ 0 0 123 8,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.627 100.9 131.5 64.3 20.1 -2.0 1.6 28.6 42 41 A T < - 0 0 39 -3,-2.4 7,-2.5 7,-0.4 2,-0.5 -0.587 54.5-123.1 -91.0 163.5 1.1 2.9 30.4 43 42 A T E +F 48 0B 87 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.911 35.8 158.7-111.2 130.4 1.2 6.4 31.7 44 43 A X E > +F 47 0B 41 3,-2.4 3,-2.1 -2,-0.5 -12,-0.1 -0.986 69.5 13.1-143.0 151.7 3.8 9.1 30.8 45 44 A Q T 3 S- 0 0 31 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.828 131.0 -65.2 51.2 33.1 3.6 12.9 31.1 46 45 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.501 118.1 89.1 74.4 5.0 0.5 12.3 33.3 47 46 A I E < S-F 44 0B 28 -3,-2.1 -3,-2.4 -5,-0.0 2,-0.2 -0.841 78.1 -94.7-134.1 167.4 -1.6 10.8 30.4 48 47 A T E -F 43 0B 40 -18,-0.5 -16,-2.7 -2,-0.3 2,-0.4 -0.556 23.6-146.9 -88.6 145.0 -2.3 7.4 28.9 49 48 A I E -c 32 0A 1 -7,-2.5 -8,-3.0 -10,-0.3 -7,-0.4 -0.924 21.7-173.5-105.3 136.3 -0.5 5.8 25.9 50 49 A Y E -c 33 0A 45 -18,-2.2 -16,-2.3 -2,-0.4 -14,-0.1 -0.960 28.5-106.7-130.6 148.3 -2.6 3.5 23.6 51 50 A R > - 0 0 29 -2,-0.3 3,-2.2 -18,-0.2 -16,-0.2 -0.289 47.8-100.8 -58.4 155.3 -2.0 1.2 20.6 52 51 A P G > S+ 0 0 33 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.667 114.2 78.3 -61.9 -18.9 -3.3 2.6 17.3 53 52 A K G 3 S+ 0 0 134 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.744 90.2 59.4 -60.0 -20.3 -6.5 0.5 17.4 54 53 A Y G <> S+ 0 0 36 -3,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.458 77.1 98.4 -85.7 -1.4 -7.8 3.1 20.0 55 54 A L H <> S+ 0 0 9 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.926 83.6 41.5 -54.7 -55.8 -7.5 6.0 17.6 56 55 A E H > S+ 0 0 102 -4,-0.3 4,-2.4 -3,-0.3 5,-0.2 0.914 114.1 51.1 -64.2 -42.9 -11.1 6.2 16.4 57 56 A R H > S+ 0 0 136 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.884 113.0 45.8 -65.4 -33.7 -12.6 5.7 19.8 58 57 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 6,-0.3 0.898 110.4 53.0 -75.7 -39.6 -10.5 8.4 21.5 59 58 A I H X>S+ 0 0 17 -4,-2.4 5,-2.2 -5,-0.3 4,-0.6 0.940 116.7 39.5 -59.3 -44.7 -11.1 10.9 18.7 60 59 A K H <5S+ 0 0 144 -4,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.877 114.0 53.3 -73.2 -38.5 -14.9 10.4 19.1 61 60 A K H <5S+ 0 0 159 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 122.4 29.4 -61.9 -42.4 -14.8 10.2 22.9 62 61 A H H <5S- 0 0 45 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.353 103.5-122.2-103.3 3.5 -13.0 13.4 23.3 63 62 A a T <5 + 0 0 114 -4,-0.6 2,-0.4 -3,-0.3 -3,-0.2 0.944 46.3 178.9 52.9 50.6 -14.2 15.2 20.1 64 63 A I < + 0 0 7 -5,-2.2 -1,-0.2 -6,-0.3 -59,-0.1 -0.705 21.9 174.1 -87.0 130.4 -10.6 15.6 18.9 65 64 A S + 0 0 66 -61,-0.6 27,-2.7 -2,-0.4 2,-0.4 0.367 63.9 54.6-114.5 5.9 -10.2 17.3 15.6 66 65 A T E -bd 5 92A 1 -62,-0.6 -60,-1.1 25,-0.2 2,-0.4 -0.997 55.6-170.8-143.5 131.3 -6.3 17.5 15.6 67 66 A V E -bd 6 93A 0 25,-2.7 27,-2.1 -2,-0.4 2,-0.5 -0.983 16.3-144.7-121.8 136.1 -3.6 14.9 16.0 68 67 A L E -bd 7 94A 0 -62,-2.7 -60,-3.3 -2,-0.4 2,-0.7 -0.870 12.5-141.6-104.1 130.6 0.1 15.9 16.4 69 68 A L E +bd 8 95A 0 25,-3.3 27,-2.2 -2,-0.5 2,-0.3 -0.824 28.6 164.5-101.8 113.9 2.6 13.6 14.8 70 69 A A + 0 0 3 -62,-2.9 -59,-0.5 -2,-0.7 -56,-0.4 -0.631 32.7 118.6-128.0 69.3 5.8 13.1 16.8 71 70 A V > + 0 0 20 -2,-0.3 3,-1.8 25,-0.1 28,-0.1 -0.413 23.5 154.9-129.4 55.1 7.5 10.0 15.2 72 71 A P T 3 S+ 0 0 24 0, 0.0 27,-0.4 0, 0.0 28,-0.1 0.767 73.3 47.0 -63.1 -26.8 10.8 11.5 13.9 73 72 A S T 3 S+ 0 0 36 -3,-0.1 2,-0.1 26,-0.1 3,-0.1 0.388 86.7 108.9 -99.7 7.3 12.7 8.2 14.0 74 73 A A S < S- 0 0 33 -3,-1.8 -3,-0.1 1,-0.1 88,-0.0 -0.488 78.7-101.8 -71.6 152.0 10.0 6.1 12.3 75 74 A S > - 0 0 69 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.192 29.3-111.4 -65.0 166.4 10.8 5.0 8.7 76 75 A Q H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.895 119.9 56.0 -65.8 -38.7 9.2 6.9 5.9 77 76 A V H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 109.8 45.3 -59.3 -44.0 7.2 3.8 5.1 78 77 A Q H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 109.9 53.5 -68.1 -39.3 5.8 3.8 8.6 79 78 A K H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.845 107.7 52.4 -64.6 -34.8 5.1 7.5 8.7 80 79 A K H X S+ 0 0 74 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.931 107.7 50.5 -65.4 -50.0 3.0 7.2 5.5 81 80 A V H X S+ 0 0 75 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.909 111.8 49.2 -52.6 -44.9 1.0 4.4 7.0 82 81 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.954 111.5 46.8 -62.4 -49.5 0.3 6.6 10.1 83 82 A I H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 112.4 50.7 -62.1 -41.7 -0.7 9.7 8.1 84 83 A E H X S+ 0 0 80 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.849 107.9 53.7 -61.4 -36.2 -3.0 7.6 5.9 85 84 A S H < S+ 0 0 39 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.862 111.5 45.1 -68.9 -34.0 -4.6 6.1 9.0 86 85 A L H ><>S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 5,-0.8 0.866 105.4 60.6 -78.5 -35.2 -5.3 9.5 10.4 87 86 A A H ><5S+ 0 0 60 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.872 99.4 57.0 -59.3 -38.3 -6.7 10.9 7.1 88 87 A K T 3<5S+ 0 0 164 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.747 103.1 56.2 -63.4 -24.4 -9.4 8.2 7.1 89 88 A L T < 5S- 0 0 38 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.299 109.0-122.3 -94.4 8.4 -10.5 9.5 10.5 90 89 A H T < 5 + 0 0 172 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.921 62.6 134.7 50.5 55.8 -11.1 13.1 9.3 91 90 A V < - 0 0 18 -5,-0.8 2,-0.3 -24,-0.0 -25,-0.2 -0.942 60.6-108.0-121.4 153.2 -8.7 14.9 11.7 92 91 A E E -d 66 0A 78 -27,-2.7 -25,-2.7 -2,-0.3 2,-0.5 -0.596 34.4-148.8 -70.3 139.5 -6.2 17.6 10.9 93 92 A V E -d 67 0A 10 -2,-0.3 22,-2.2 -27,-0.2 2,-0.3 -0.960 16.8-179.6-119.0 119.9 -2.6 16.3 11.2 94 93 A L E -dE 68 114A 20 -27,-2.1 -25,-3.3 -2,-0.5 2,-0.3 -0.885 12.4-154.1-109.4 148.7 0.2 18.5 12.3 95 94 A T E -dE 69 113A 6 18,-3.4 18,-2.0 -2,-0.3 -25,-0.2 -0.935 13.1-128.8-124.8 146.7 3.8 17.3 12.5 96 95 A I - 0 0 2 -27,-2.2 16,-0.1 -2,-0.3 13,-0.1 -0.321 56.8 -68.7 -74.3 173.4 6.9 18.2 14.5 97 96 A P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 -0.098 59.9 -85.2 -65.9 164.8 10.1 18.8 12.4 98 97 A N > - 0 0 77 -3,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.206 42.0-106.1 -64.0 160.3 12.0 16.0 10.6 99 98 A L H > S+ 0 0 32 -27,-0.4 4,-3.0 1,-0.2 3,-0.3 0.904 118.3 52.4 -59.3 -46.3 14.6 14.0 12.5 100 99 A D H > S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 6,-0.3 0.878 109.4 50.2 -60.6 -37.2 17.7 15.7 10.9 101 100 A D H 4>S+ 0 0 37 -3,-0.2 6,-1.3 2,-0.2 5,-1.2 0.806 113.9 47.4 -70.3 -29.0 16.3 19.1 11.8 102 101 A L H ><5S+ 0 0 14 -4,-1.6 3,-1.1 -3,-0.3 -2,-0.2 0.962 115.2 40.4 -73.9 -53.5 15.8 17.9 15.4 103 102 A V H 3<5S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.833 114.5 51.9 -70.9 -33.4 19.2 16.3 16.0 104 103 A N T 3<5S- 0 0 100 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 0.469 111.0-127.5 -77.8 -3.0 21.2 19.0 14.2 105 104 A G T < 5S+ 0 0 61 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.671 72.1 123.5 68.8 23.3 19.3 21.5 16.5 106 105 A K S - 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0 0 32 -25,-3.0 18,-0.4 -2,-0.5 2,-0.3 0.840 63.3 -26.0 -81.3 -39.0 29.9 0.9 17.8 154 30 B A E -g 129 0C 3 -26,-0.6 -24,-1.9 16,-0.2 -1,-0.3 -0.956 62.6-108.4-165.4 165.7 26.2 0.1 17.3 155 31 B F E -gi 130 172C 3 16,-2.2 18,-2.2 -2,-0.3 2,-0.4 -0.798 17.6-150.3-101.8 151.1 22.7 0.8 18.7 156 32 B I E +gi 131 173C 0 -26,-2.7 -24,-3.4 -2,-0.3 2,-0.3 -0.972 22.2 173.4-112.5 137.1 20.5 -1.5 20.6 157 33 B D - 0 0 25 16,-2.3 5,-0.1 -2,-0.4 -26,-0.0 -0.980 35.9-142.8-146.9 135.7 16.7 -1.0 20.3 158 34 B D S S+ 0 0 49 -2,-0.3 2,-1.1 16,-0.2 16,-0.1 0.626 77.7 100.8 -67.0 -15.2 13.7 -3.0 21.5 159 35 B D > - 0 0 59 1,-0.2 3,-2.9 14,-0.1 4,-0.4 -0.615 58.6-163.2 -81.3 99.9 11.8 -2.1 18.2 160 36 B R G > S+ 0 0 183 -2,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.782 87.7 69.4 -50.4 -29.7 12.1 -5.1 16.0 161 37 B K G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.761 101.1 47.6 -60.2 -23.6 11.1 -2.9 13.1 162 38 B K G X S+ 0 0 27 -3,-2.9 3,-2.4 -5,-0.1 10,-0.3 0.481 80.2 130.1 -95.4 -5.7 14.5 -1.2 13.5 163 39 B H T < S- 0 0 47 -3,-1.3 10,-0.2 -4,-0.4 3,-0.1 -0.280 84.3 -2.1 -59.2 129.5 16.6 -4.4 13.7 164 40 B K T 3 S+ 0 0 121 8,-2.9 -1,-0.3 1,-0.2 9,-0.1 0.614 100.0 128.1 60.7 17.6 19.5 -4.3 11.3 165 41 B T < - 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0 0 112 -3,-0.6 2,-0.4 -4,-0.5 -59,-0.2 0.929 47.1-179.9 47.8 53.3 35.1 -6.0 23.8 187 63 B I < + 0 0 7 -5,-2.1 -1,-0.2 -6,-0.2 -59,-0.1 -0.701 22.4 168.7 -87.0 128.6 32.5 -3.6 25.1 188 64 B S + 0 0 69 -61,-0.6 27,-2.3 -2,-0.4 2,-0.3 0.319 63.3 55.5-120.7 9.1 32.6 -2.9 28.8 189 65 B T E -hj 128 215C 1 -62,-0.5 -60,-1.0 25,-0.2 2,-0.4 -0.992 57.4-170.0-143.4 131.5 30.2 0.1 28.9 190 66 B V E -hj 129 216C 0 25,-2.5 27,-2.1 -2,-0.3 2,-0.5 -0.983 13.2-148.2-123.5 133.7 26.7 0.6 27.6 191 67 B L E -hj 130 217C 0 -62,-2.7 -60,-3.0 -2,-0.4 2,-0.5 -0.887 9.6-140.9-105.1 129.3 25.0 4.0 27.5 192 68 B L E +hj 131 218C 0 25,-3.2 27,-2.2 -2,-0.5 -60,-0.2 -0.766 25.8 168.2 -93.0 124.4 21.2 4.3 28.0 193 69 B A + 0 0 4 -62,-3.2 -56,-0.5 -2,-0.5 -59,-0.4 -0.517 40.5 114.5-128.2 60.9 19.4 6.8 25.8 194 70 B V > + 0 0 23 25,-0.1 3,-2.0 -58,-0.1 28,-0.1 -0.466 21.7 154.7-127.9 60.3 15.8 5.8 26.5 195 71 B P T 3 S+ 0 0 15 0, 0.0 27,-0.5 0, 0.0 28,-0.1 0.725 74.0 59.6 -62.1 -18.1 14.3 8.8 28.3 196 72 B S T 3 S+ 0 0 18 -3,-0.1 2,-0.3 25,-0.1 25,-0.0 0.464 80.7 106.8 -92.1 1.7 10.8 7.7 27.1 197 73 B A S < S- 0 0 14 -3,-2.0 -3,-0.1 1,-0.1 -158,-0.0 -0.595 77.2-114.6 -77.0 141.0 11.0 4.3 28.8 198 74 B S > - 0 0 33 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.246 29.9-109.4 -62.3 159.9 8.8 3.9 31.9 199 75 B Q H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.935 121.3 54.6 -63.5 -39.0 10.8 3.4 35.1 200 76 B V H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.942 112.1 43.0 -55.0 -47.5 9.6 -0.3 35.1 201 77 B Q H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 110.0 55.8 -69.1 -36.8 11.0 -0.8 31.6 202 78 B K H X S+ 0 0 18 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.900 107.5 49.9 -64.1 -37.3 14.2 1.1 32.3 203 79 B K H X S+ 0 0 82 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.888 106.7 54.7 -69.1 -36.9 15.0 -1.2 35.2 204 80 B V H X S+ 0 0 80 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.954 112.3 44.9 -55.5 -49.3 14.3 -4.3 33.0 205 81 B I H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.933 112.9 49.8 -59.8 -47.1 16.9 -2.9 30.6 206 82 B I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 111.4 47.8 -64.2 -43.8 19.4 -2.0 33.3 207 83 B E H X S+ 0 0 63 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.886 107.2 56.7 -66.0 -36.3 19.2 -5.4 35.0 208 84 B S H < S+ 0 0 45 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.880 112.6 42.6 -59.8 -37.3 19.6 -7.2 31.6 209 85 B L H ><>S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 5,-0.9 0.867 106.0 61.2 -77.2 -38.7 22.8 -5.2 31.1 210 86 B A H ><5S+ 0 0 20 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.889 100.0 56.0 -52.3 -43.8 24.1 -5.7 34.7 211 87 B K T 3<5S+ 0 0 161 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.458 99.5 60.8 -74.4 -0.7 24.1 -9.5 34.2 212 88 B L T < 5S- 0 0 43 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.223 113.5-116.1-105.2 10.3 26.4 -9.1 31.2 213 89 B H T < 5 + 0 0 177 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.912 69.2 132.2 56.9 49.8 29.1 -7.5 33.3 214 90 B V < - 0 0 13 -5,-0.9 2,-0.3 -4,-0.1 -25,-0.2 -0.877 60.7-113.6-117.7 159.4 29.1 -4.0 31.7 215 91 B E E -j 189 0C 79 -27,-2.3 -25,-2.5 -2,-0.3 2,-0.5 -0.672 32.8-144.8 -82.5 146.4 29.0 -0.7 33.4 216 92 B V E +j 190 0C 3 -2,-0.3 22,-2.3 -27,-0.2 2,-0.3 -0.972 20.3 176.6-125.0 123.3 25.8 1.2 32.7 217 93 B L E -jK 191 237C 16 -27,-2.1 -25,-3.2 -2,-0.5 2,-0.3 -0.873 11.0-156.5-120.4 156.1 25.5 5.0 32.3 218 94 B T E -jK 192 236C 14 18,-2.4 18,-2.6 -2,-0.3 -25,-0.2 -0.977 15.5-126.2-135.9 146.8 22.5 7.0 31.4 219 95 B I - 0 0 2 -27,-2.2 13,-0.1 -2,-0.3 16,-0.1 -0.333 57.0 -70.1 -74.2 171.2 21.6 10.4 29.9 220 96 B P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.034 57.0 -88.5 -59.2 164.4 19.2 12.6 31.9 221 97 B N >> - 0 0 85 -3,-0.1 4,-1.0 1,-0.1 3,-1.0 -0.345 43.0-104.4 -67.7 156.3 15.5 12.0 32.5 222 98 B L H >> S+ 0 0 10 -27,-0.5 4,-1.7 1,-0.3 3,-1.1 0.877 117.7 53.9 -50.5 -48.4 13.0 13.4 30.0 223 99 B D H 3> S+ 0 0 82 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.794 107.7 52.0 -67.1 -24.9 11.8 16.3 32.1 224 100 B D H <4 S+ 0 0 51 -3,-1.0 6,-2.6 1,-0.2 5,-0.3 0.665 109.9 50.0 -82.9 -17.3 15.4 17.5 32.6 225 101 B L H X< S+ 0 0 15 -3,-1.1 3,-1.0 -4,-1.0 -2,-0.2 0.791 100.8 62.6 -83.7 -30.6 16.0 17.4 28.8 226 102 B V H 3< S+ 0 0 26 -4,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.934 108.1 37.8 -71.0 -45.6 12.9 19.3 27.8 227 103 B N T 3< S- 0 0 110 -4,-0.9 -1,-0.3 1,-0.0 -2,-0.1 0.341 112.8-117.1 -81.1 7.1 13.7 22.7 29.4 228 104 B G S < S+ 0 0 56 -3,-1.0 -3,-0.2 2,-0.1 -2,-0.1 0.683 73.6 137.3 60.0 19.5 17.3 22.1 28.5 229 105 B K S S+ 0 0 142 -5,-0.3 2,-0.3 -6,-0.2 -4,-0.2 0.952 73.3 26.4 -56.4 -48.0 18.2 22.1 32.2 230 106 B L S S- 0 0 52 -6,-2.6 2,-0.2 -9,-0.1 -2,-0.1 -0.883 86.0-122.5-117.3 149.5 20.6 19.1 31.6 231 107 B S > - 0 0 61 -2,-0.3 3,-1.9 1,-0.1 -6,-0.0 -0.612 18.4-124.3 -88.0 148.8 22.4 18.2 28.4 232 108 B I T 3 S+ 0 0 17 1,-0.3 -1,-0.1 -2,-0.2 -92,-0.0 0.793 110.2 65.7 -57.9 -26.7 22.0 14.8 26.7 233 109 B G T 3 S+ 0 0 27 -14,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.568 73.0 102.7 -76.7 -8.1 25.7 14.4 26.9 234 110 B Q < - 0 0 102 -3,-1.9 2,-0.6 2,-0.0 -4,-0.0 -0.682 58.7-165.8 -78.9 112.7 25.7 14.3 30.8 235 111 B L - 0 0 47 -2,-0.8 2,-0.4 -16,-0.1 -16,-0.2 -0.883 5.4-170.3-108.4 121.5 26.2 10.6 31.5 236 112 B K E -K 218 0C 144 -18,-2.6 -18,-2.4 -2,-0.6 2,-0.1 -0.886 28.1-113.4-111.8 140.8 25.5 9.4 35.0 237 113 B E E -K 217 0C 128 -2,-0.4 -20,-0.2 -20,-0.2 3,-0.1 -0.474 41.7-111.9 -64.7 134.0 26.3 5.9 36.5 238 114 B V - 0 0 19 -22,-2.3 -22,-0.1 -2,-0.1 -1,-0.1 -0.319 42.4 -89.9 -64.4 154.4 23.0 4.1 37.2 239 115 B S > - 0 0 50 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.319 24.3-126.6 -64.6 150.3 22.3 3.5 40.9 240 116 B I H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.829 113.3 59.2 -61.4 -34.0 23.5 0.3 42.5 241 117 B D H >>S+ 0 0 86 2,-0.2 5,-2.0 1,-0.2 4,-1.3 0.943 111.5 38.7 -57.5 -49.2 19.9 -0.2 43.6 242 118 B D H 45S+ 0 0 40 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.897 114.6 54.9 -69.4 -41.5 18.8 -0.2 40.0 243 119 B L H <5S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 119.9 30.8 -56.5 -42.4 21.8 -2.1 38.8 244 120 B L H <5S- 0 0 97 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.544 104.9-120.8-100.6 -9.2 21.2 -5.0 41.2 245 121 B G T <5 0 0 41 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.990 360.0 360.0 64.1 58.8 17.4 -4.8 41.5 246 122 B R < 0 0 198 -5,-2.0 -4,-0.1 -6,-0.1 -5,-0.1 0.683 360.0 360.0 -82.8 360.0 17.4 -4.3 45.2