==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-08 3EEK . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR J.LIU,A.ANDERSON . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4 0 4 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 2 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 PARALLEL BRIDGES PER LADDER . 4 2 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 2 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 3 A K 0 0 215 0, 0.0 103,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -38.7 12.8 -17.6 19.0 2 4 A V - 0 0 19 113,-0.0 113,-0.2 1,-0.0 112,-0.1 -0.857 360.0-106.8 -93.0 132.6 11.6 -16.8 15.4 3 5 A P - 0 0 44 0, 0.0 113,-2.5 0, 0.0 2,-0.5 -0.374 24.2-147.5 -63.9 140.1 14.6 -16.9 12.9 4 6 A V E -a 116 0A 6 111,-0.2 129,-2.9 127,-0.1 130,-1.3 -0.960 22.1-177.9-108.1 115.3 15.7 -13.5 11.5 5 7 A V E -ab 117 134A 0 111,-3.0 113,-2.6 -2,-0.5 2,-0.3 -0.965 18.7-149.6-124.5 118.6 17.0 -13.9 7.9 6 8 A G E -ab 118 135A 0 128,-2.2 130,-3.3 -2,-0.5 2,-0.4 -0.687 17.3-165.3 -82.2 141.5 18.4 -11.2 5.8 7 9 A I E + b 0 136A 5 111,-2.7 2,-0.3 -2,-0.3 130,-0.2 -1.000 17.6 152.7-136.7 133.2 17.7 -11.7 2.1 8 10 A V E - b 0 137A 7 128,-2.5 130,-3.0 -2,-0.4 2,-0.5 -0.986 40.2-134.2-160.6 147.6 19.5 -9.8 -0.7 9 11 A A E - b 0 138A 14 -2,-0.3 2,-0.4 128,-0.2 130,-0.2 -0.979 37.1-178.9-109.2 120.7 20.6 -10.0 -4.4 10 12 A A E - b 0 139A 0 128,-3.3 130,-3.5 -2,-0.5 2,-0.6 -0.973 25.6-130.7-131.6 137.9 24.2 -8.9 -4.7 11 13 A L E >> -Cb 16 140A 2 5,-3.2 4,-1.7 -2,-0.4 5,-1.7 -0.731 44.3 -98.1 -89.2 121.9 26.7 -8.5 -7.6 12 14 A L T 45S+ 0 0 3 128,-2.8 179,-0.1 -2,-0.6 -1,-0.0 -0.363 91.1 19.6 -74.9 156.5 30.1 -10.0 -7.1 13 15 A P T 45S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 128,-0.0 -0.992 134.8 29.8 -87.7 -13.2 32.8 -9.2 -6.3 14 16 A E T 45S- 0 0 38 -3,-0.2 143,-0.3 435,-0.1 -2,-0.2 0.611 97.1-126.1 -78.1 -10.5 31.9 -5.9 -4.5 15 17 A M T <5 - 0 0 1 -4,-1.7 140,-2.7 1,-0.2 2,-0.2 0.932 39.7-176.5 58.2 48.6 28.4 -7.2 -3.5 16 18 A G E < +CD 11 154A 0 -5,-1.7 -5,-3.2 138,-0.2 138,-0.3 -0.573 14.5 172.6 -73.3 142.7 26.7 -4.2 -5.1 17 19 A I E + 0 0 16 136,-3.1 2,-0.3 1,-0.3 137,-0.2 0.454 52.7 14.5-130.9 -12.4 22.9 -4.2 -4.5 18 20 A G E - D 0 153A 9 135,-1.2 134,-2.8 5,-0.2 135,-1.4 -0.998 43.4-160.1-161.1 166.4 21.6 -0.8 -5.8 19 21 A F B > S-L 22 0B 46 3,-2.6 3,-1.9 -2,-0.3 132,-0.1 -0.928 79.2 -12.5-156.2 125.3 22.0 2.4 -7.8 20 22 A Q T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 131,-0.0 0.827 127.7 -50.1 51.6 45.4 20.1 5.6 -7.6 21 23 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.373 122.2 89.8 78.2 1.5 17.3 4.2 -5.3 22 24 A N B < S-L 19 0B 96 -3,-1.9 -3,-2.6 38,-0.0 -1,-0.2 -0.809 85.9 -93.0-127.3 162.8 16.7 1.1 -7.6 23 25 A L - 0 0 107 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.530 34.6-134.0 -66.6 139.9 17.8 -2.4 -8.2 24 26 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.451 85.0 32.7 -80.6 -0.3 20.7 -2.4 -10.9 25 27 A W - 0 0 25 2,-0.1 2,-0.4 124,-0.1 -2,-0.1 -0.905 68.7-136.9-143.6 170.8 19.1 -5.3 -12.8 26 28 A R + 0 0 217 -2,-0.3 2,-0.6 4,-0.0 0, 0.0 -0.901 31.6 167.6-133.1 96.8 15.6 -6.7 -13.6 27 29 A L > - 0 0 9 -2,-0.4 4,-2.4 1,-0.2 3,-0.4 -0.922 21.2-166.2-123.2 102.2 15.7 -10.4 -13.2 28 30 A A H > S+ 0 0 68 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.847 90.2 50.1 -52.9 -41.9 12.2 -12.1 -13.2 29 31 A K H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.783 110.8 47.3 -66.1 -34.9 13.7 -15.4 -11.9 30 32 A E H > S+ 0 0 20 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.909 113.6 49.1 -71.5 -46.2 15.6 -13.9 -9.0 31 33 A M H X S+ 0 0 86 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.816 108.4 54.1 -62.7 -35.8 12.5 -11.8 -8.1 32 34 A K H X S+ 0 0 89 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.914 109.0 49.2 -63.1 -49.8 10.3 -15.1 -8.3 33 35 A Y H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.934 111.2 48.7 -50.9 -51.8 12.8 -16.7 -5.8 34 36 A F H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.931 113.2 48.1 -57.4 -52.4 12.5 -13.6 -3.5 35 37 A R H X S+ 0 0 113 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.944 115.3 43.2 -48.3 -59.8 8.7 -13.7 -3.7 36 38 A E H X S+ 0 0 50 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.891 114.0 49.3 -57.8 -46.9 8.3 -17.4 -3.0 37 39 A V H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.958 117.5 40.2 -58.7 -53.1 10.9 -17.6 -0.2 38 40 A T H < S+ 0 0 0 -4,-2.4 10,-0.3 -5,-0.2 -1,-0.2 0.781 121.9 42.3 -67.7 -32.3 9.4 -14.6 1.7 39 41 A T H < S+ 0 0 38 -4,-2.2 9,-0.4 -5,-0.3 -2,-0.2 0.943 98.9 80.3 -78.5 -53.3 5.8 -15.6 1.1 40 42 A L < - 0 0 53 -4,-2.6 2,-0.3 -5,-0.2 3,-0.1 -0.180 54.2-176.7 -64.6 143.4 5.9 -19.4 1.6 41 43 A T - 0 0 26 1,-0.1 137,-0.1 5,-0.1 3,-0.1 -0.946 33.0-134.3-130.3 155.2 5.8 -21.0 5.0 42 44 A N S S+ 0 0 92 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.857 100.7 60.5 -72.1 -38.8 6.1 -24.6 6.2 43 45 A D S > S- 0 0 54 1,-0.1 3,-2.2 -3,-0.1 -1,-0.2 -0.834 78.0-151.6 -93.7 114.9 3.1 -24.0 8.6 44 46 A N T 3 S+ 0 0 158 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.578 93.2 57.1 -58.1 -19.0 -0.0 -23.0 6.5 45 47 A S T 3 S+ 0 0 60 2,-0.0 -1,-0.3 68,-0.0 2,-0.2 0.405 98.9 76.0 -95.4 -1.5 -1.5 -20.9 9.4 46 48 A K < - 0 0 57 -3,-2.2 2,-0.3 67,-0.1 67,-0.2 -0.685 60.1-161.4-104.8 162.0 1.6 -18.7 9.7 47 49 A Q E -e 113 0A 77 65,-1.8 67,-1.5 -2,-0.2 2,-0.2 -0.898 20.5-117.4-126.4 164.2 2.9 -15.8 7.6 48 50 A N E - 0 0 0 21,-0.5 23,-2.2 -9,-0.4 2,-0.4 -0.655 19.9-128.6 -92.7 157.7 6.4 -14.3 7.3 49 51 A V E -ef 116 71A 0 66,-2.5 68,-3.3 -2,-0.2 2,-0.5 -0.853 14.8-160.9 -97.1 143.6 7.3 -10.7 8.2 50 52 A V E -ef 117 72A 0 21,-3.2 23,-2.3 -2,-0.4 2,-0.4 -0.992 9.0-167.0-118.5 123.6 9.3 -8.6 5.7 51 53 A I E +ef 118 73A 0 66,-2.8 68,-2.3 -2,-0.5 69,-0.5 -0.899 13.3 166.6-110.7 135.1 11.0 -5.6 7.2 52 54 A M E - f 0 74A 0 21,-2.7 23,-2.2 -2,-0.4 69,-0.3 -0.978 34.9-106.4-145.4 150.8 12.5 -2.8 5.1 53 55 A G E > - f 0 75A 8 67,-2.1 4,-2.1 -2,-0.3 3,-0.3 -0.359 40.2-105.8 -71.7 163.7 13.8 0.7 5.4 54 56 A R H > S+ 0 0 92 21,-1.6 4,-2.0 1,-0.2 5,-0.2 0.860 118.0 53.6 -59.8 -43.5 11.8 3.7 4.2 55 57 A K H > S+ 0 0 138 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.865 108.6 50.4 -63.7 -36.7 13.8 4.3 1.1 56 58 A T H >> S+ 0 0 33 -3,-0.3 3,-1.0 2,-0.2 4,-0.7 0.930 108.7 52.1 -63.4 -47.9 13.3 0.7 -0.0 57 59 A W H >< S+ 0 0 32 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.891 106.8 54.2 -48.2 -46.2 9.5 0.9 0.5 58 60 A E H 3< S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.679 105.9 53.1 -72.6 -15.2 9.4 4.1 -1.6 59 61 A S H << S+ 0 0 46 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.568 83.2 98.0 -95.4 -11.3 11.1 2.3 -4.5 60 62 A I S << S- 0 0 27 -3,-1.1 5,-0.1 -4,-0.7 -38,-0.0 -0.643 92.3-101.5 -71.9 129.4 8.7 -0.6 -4.7 61 63 A P > - 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.250 29.7-122.3 -50.1 137.9 6.2 0.1 -7.5 62 64 A Q G > S+ 0 0 151 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.793 109.1 57.9 -58.5 -29.7 2.9 1.3 -5.9 63 65 A K G 3 S+ 0 0 200 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.735 109.1 47.6 -68.2 -21.6 0.8 -1.5 -7.5 64 66 A F G < S+ 0 0 138 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.318 91.7 122.4-107.0 7.8 3.0 -4.0 -5.8 65 67 A R < + 0 0 57 -3,-0.9 2,-0.1 -4,-0.3 -8,-0.0 -0.957 54.4 42.0-124.7 144.2 3.1 -2.8 -2.2 66 68 A P S S- 0 0 44 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.553 100.8-114.6 -73.2 155.5 2.5 -3.8 0.4 67 69 A L > - 0 0 18 -2,-0.1 3,-1.0 1,-0.1 -2,-0.1 -0.376 40.6-111.7 -59.4 120.6 4.0 -7.1 -0.6 68 70 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.157 88.9 12.0 -56.4 143.2 1.1 -9.6 -0.5 69 71 A K T 3 S+ 0 0 142 1,-0.2 -21,-0.5 -22,-0.0 2,-0.3 0.577 110.2 91.5 72.5 13.4 0.7 -12.4 1.9 70 72 A R S < S- 0 0 16 -3,-1.0 2,-0.6 -23,-0.1 -21,-0.2 -0.988 82.6-113.0-132.5 143.2 3.4 -11.0 4.2 71 73 A I E -f 49 0A 39 -23,-2.2 -21,-3.2 -2,-0.3 2,-0.4 -0.680 37.9-150.1 -68.7 119.7 3.4 -8.7 7.1 72 74 A N E -fg 50 90A 0 17,-1.8 19,-2.4 -2,-0.6 2,-0.4 -0.817 14.4-173.3 -97.2 133.1 5.2 -5.5 5.9 73 75 A V E -fg 51 91A 0 -23,-2.3 -21,-2.7 -2,-0.4 2,-0.4 -0.998 3.9-165.8-126.2 126.4 7.1 -3.4 8.3 74 76 A V E -fg 52 92A 1 17,-2.4 19,-2.3 -2,-0.4 2,-0.5 -0.941 9.5-151.2-110.1 129.3 8.6 -0.1 7.2 75 77 A V E +fg 53 93A 14 -23,-2.2 -21,-1.6 -2,-0.4 2,-0.3 -0.892 24.7 156.0-109.8 132.0 11.2 1.6 9.4 76 78 A S > - 0 0 21 17,-2.4 3,-1.3 -2,-0.5 -2,-0.0 -0.974 44.0-134.3-146.9 138.9 11.7 5.4 9.6 77 79 A R T 3 S+ 0 0 69 -2,-0.3 17,-0.1 1,-0.2 -1,-0.0 0.693 107.6 61.7 -68.9 -16.1 13.2 7.5 12.4 78 80 A S T 3 S+ 0 0 99 15,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.332 84.2 101.0 -88.2 4.5 10.2 9.9 11.8 79 81 A F S < S- 0 0 43 -3,-1.3 3,-0.1 14,-0.2 15,-0.0 -0.419 83.9-107.4 -85.6 169.5 7.6 7.2 12.7 80 82 A D S S- 0 0 122 -2,-0.1 2,-0.3 1,-0.1 13,-0.1 0.813 71.2 -46.8 -78.3 -41.4 5.9 7.1 16.1 81 83 A G S S- 0 0 21 11,-0.2 13,-1.0 3,-0.0 3,-0.4 -0.885 79.1 -39.4 178.4-151.5 7.4 4.0 17.9 82 84 A E S S- 0 0 100 1,-0.3 13,-0.3 -2,-0.3 2,-0.2 0.621 111.9 -11.3-100.6 -21.7 8.3 0.8 18.0 83 85 A L + 0 0 55 10,-0.1 2,-0.4 11,-0.1 -1,-0.3 -0.616 67.0 165.5-171.9 104.3 5.6 -1.1 16.0 84 86 A R E -H 92 0A 128 8,-2.6 8,-2.9 -3,-0.4 2,-0.4 -0.984 36.1-124.2-129.1 132.1 2.2 0.4 15.0 85 87 A K E +H 91 0A 117 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.635 35.1 165.7 -70.1 126.5 -0.4 -0.8 12.5 86 88 A V E - 0 0 52 4,-2.8 2,-0.3 1,-0.4 5,-0.2 0.613 63.6 -6.1-115.0 -22.7 -1.0 2.0 10.0 87 89 A E E > S-H 90 0A 132 3,-1.8 3,-2.5 0, 0.0 -1,-0.4 -0.955 96.8 -61.5-158.8 169.7 -2.9 0.2 7.1 88 90 A D T 3 S+ 0 0 136 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.394 127.7 3.8 -60.1 123.3 -4.0 -3.3 6.3 89 91 A G T 3 S+ 0 0 34 -2,-0.2 -17,-1.8 1,-0.1 2,-0.5 0.462 113.9 104.4 81.7 -1.1 -0.8 -5.3 5.9 90 92 A I E < +gH 72 87A 7 -3,-2.5 -4,-2.8 -19,-0.1 -3,-1.8 -0.968 41.3 177.5-126.2 119.5 1.4 -2.3 6.9 91 93 A Y E -gH 73 85A 78 -19,-2.4 -17,-2.4 -2,-0.5 2,-0.4 -0.909 15.8-149.6-107.4 140.2 3.2 -1.6 10.2 92 94 A H E +gH 74 84A 44 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.4 -0.939 15.7 180.0-107.2 143.4 5.4 1.4 10.9 93 95 A S E -g 75 0A 0 -19,-2.3 -17,-2.4 -2,-0.4 -11,-0.2 -0.996 28.5-157.9-138.7 140.4 8.3 1.4 13.2 94 96 A N S S+ 0 0 15 -13,-1.0 2,-0.3 -2,-0.4 -12,-0.1 0.229 85.4 52.1 -92.2 14.3 10.8 4.0 14.3 95 97 A S > - 0 0 8 -13,-0.3 4,-2.5 -14,-0.2 5,-0.2 -0.830 55.9-162.5-158.5 111.7 13.4 1.3 15.3 96 98 A L H > S+ 0 0 10 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.949 100.0 43.5 -53.7 -54.9 14.8 -1.7 13.5 97 99 A R H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 117.2 42.8 -55.9 -51.1 16.0 -3.3 16.9 98 100 A N H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.873 111.0 56.9 -74.7 -34.7 12.8 -2.6 18.9 99 101 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.913 107.1 49.4 -55.5 -44.7 10.7 -3.6 16.1 100 102 A L H X S+ 0 0 12 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.927 111.4 47.7 -63.5 -44.7 12.5 -7.0 16.1 101 103 A T H X S+ 0 0 98 -4,-2.0 4,-0.6 2,-0.2 3,-0.2 0.936 113.6 49.3 -59.4 -46.2 12.0 -7.4 19.9 102 104 A A H >< S+ 0 0 16 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.939 108.9 50.7 -57.2 -52.5 8.3 -6.5 19.5 103 105 A L H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.759 106.8 58.3 -56.5 -29.7 7.8 -9.0 16.6 104 106 A Q H 3< S+ 0 0 51 -4,-1.5 2,-0.5 -3,-0.2 -1,-0.2 0.579 75.8 108.6 -77.6 -17.6 9.4 -11.7 18.8 105 107 A S S+ 0 0 61 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.771 94.7 59.4 -65.1 -24.5 4.7 -14.6 21.6 107 109 A L H 4 S+ 0 0 159 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.933 113.1 36.2 -71.1 -43.3 2.0 -12.6 23.3 108 110 A A H 4 S+ 0 0 74 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 127.5 37.6 -66.1 -43.0 1.9 -10.0 20.4 109 111 A N H >< S- 0 0 19 -4,-2.8 3,-2.8 -7,-0.2 -2,-0.2 0.517 87.0-144.4 -97.9 -12.5 2.5 -12.6 17.7 110 112 A E T 3< - 0 0 155 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.746 63.7 -76.3 58.2 26.9 0.5 -15.6 19.0 111 113 A N T 3 S+ 0 0 92 -5,-0.2 -1,-0.3 -6,-0.2 -5,-0.1 0.775 107.9 121.5 44.3 37.1 3.3 -17.8 17.5 112 114 A K < + 0 0 91 -3,-2.8 -65,-1.8 -6,-0.1 2,-0.6 0.197 44.8 86.3-108.9 13.8 1.8 -17.1 14.0 113 115 A I E - e 0 47A 10 -67,-0.2 -65,-0.2 1,-0.2 3,-0.1 -0.986 54.1-172.6-101.5 118.6 5.0 -15.5 12.3 114 116 A E E - 0 0 28 -67,-1.5 2,-0.3 -2,-0.6 -66,-0.2 0.950 64.4 -3.0 -54.3 -66.1 7.2 -18.2 10.9 115 117 A R E - 0 0 29 -68,-0.2 -66,-2.5 -113,-0.2 2,-0.5 -0.955 58.6-134.9-133.0 160.5 10.3 -16.1 9.9 116 118 A I E -ae 4 49A 0 -113,-2.5 -111,-3.0 -2,-0.3 2,-0.5 -0.971 23.6-161.8-113.7 117.8 11.3 -12.6 9.8 117 119 A Y E -ae 5 50A 1 -68,-3.3 -66,-2.8 -2,-0.5 2,-0.7 -0.867 10.1-151.1-102.6 130.5 13.0 -11.5 6.5 118 120 A I E -ae 6 51A 0 -113,-2.6 -111,-2.7 -2,-0.5 -66,-0.2 -0.916 17.1-178.8-101.6 114.5 15.0 -8.4 6.4 119 121 A I + 0 0 17 -68,-2.3 -67,-0.2 -2,-0.7 2,-0.1 0.199 32.4 176.5-111.5 13.6 14.6 -7.2 2.8 120 122 A G - 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s 0 300D 0 21,-2.6 23,-1.8 -2,-0.5 69,-0.3 -0.987 35.6-105.8-142.5 149.3 24.2 8.9 26.5 279 55 B G E > - s 0 301D 8 67,-2.5 4,-2.2 -2,-0.3 3,-0.4 -0.322 40.5-106.0 -66.8 162.0 20.7 7.5 26.1 280 56 B R H > S+ 0 0 91 21,-1.6 4,-2.3 1,-0.2 5,-0.1 0.838 118.5 53.0 -59.1 -41.3 17.7 9.7 27.2 281 57 B K H > S+ 0 0 141 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.855 108.8 50.1 -64.4 -34.7 17.0 7.6 30.4 282 58 B T H >> S+ 0 0 35 -3,-0.4 3,-0.6 2,-0.2 4,-0.6 0.914 109.7 51.2 -69.2 -44.5 20.7 8.0 31.5 283 59 B W H >< S+ 0 0 34 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.933 107.4 54.0 -52.4 -51.8 20.5 11.8 30.9 284 60 B E H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.706 106.0 53.4 -59.8 -23.0 17.3 12.0 33.1 285 61 B S H << S+ 0 0 46 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.553 83.2 97.9 -92.0 -11.7 19.0 10.3 35.9 286 62 B I S << S- 0 0 26 -3,-1.6 5,-0.1 -4,-0.6 -38,-0.0 -0.684 92.1 -98.9 -70.7 132.8 22.0 12.7 36.1 287 63 B P > - 0 0 81 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.241 29.9-123.2 -51.2 132.6 21.3 15.3 38.9 288 64 B Q G > S+ 0 0 150 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.761 110.0 56.1 -49.3 -34.1 20.0 18.5 37.4 289 65 B K G 3 S+ 0 0 201 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.652 108.7 49.7 -72.3 -14.6 22.8 20.6 38.9 290 66 B F G < S+ 0 0 144 -3,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.368 91.4 120.8-109.7 4.4 25.4 18.4 37.3 291 67 B R < + 0 0 56 -3,-0.8 2,-0.2 -4,-0.4 -8,-0.0 -0.964 54.1 42.1-125.9 146.3 24.2 18.2 33.7 292 68 B P S S- 0 0 45 0, 0.0 3,-0.1 0, 0.0 24,-0.1 0.513 101.0-114.8 -67.1 154.3 25.2 18.9 31.0 293 69 B L > - 0 0 19 -2,-0.2 3,-1.0 1,-0.1 -2,-0.1 -0.419 41.7-109.5 -59.5 121.2 28.5 17.4 32.1 294 70 B P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.196 89.2 9.0 -56.6 139.2 31.0 20.3 32.1 295 71 B K T 3 S+ 0 0 162 1,-0.2 -21,-0.4 -3,-0.1 2,-0.3 0.594 109.2 94.2 69.6 17.0 33.8 20.8 29.6 296 72 B R S < S- 0 0 17 -3,-1.0 2,-0.6 -23,-0.1 -21,-0.2 -0.984 83.0-113.1-131.4 139.5 32.5 17.9 27.4 297 73 B I E -s 275 0D 38 -23,-2.3 -21,-2.9 -2,-0.3 2,-0.5 -0.683 38.8-148.1 -66.6 115.7 30.1 18.1 24.3 298 74 B N E -st 276 316D 0 17,-1.9 19,-2.8 -2,-0.6 2,-0.5 -0.795 15.6-172.6 -92.4 128.8 26.9 16.3 25.6 299 75 B V E -st 277 317D 0 -23,-2.7 -21,-2.6 -2,-0.5 2,-0.4 -0.984 3.5-165.6-121.5 127.1 24.8 14.3 23.2 300 76 B V E -st 278 318D 2 17,-3.0 19,-2.6 -2,-0.5 2,-0.5 -0.934 8.1-153.2-111.8 129.4 21.5 12.8 24.2 301 77 B V E +st 279 319D 14 -23,-1.8 -21,-1.6 -2,-0.4 2,-0.3 -0.892 24.5 154.1-109.9 128.2 19.8 10.2 22.0 302 78 B S > - 0 0 18 17,-2.3 3,-1.1 -2,-0.5 -2,-0.0 -0.980 45.3-132.8-146.0 142.5 16.0 9.7 21.9 303 79 B R T 3 S+ 0 0 71 -2,-0.3 17,-0.1 1,-0.2 -1,-0.0 0.662 106.8 62.3 -70.3 -15.4 13.8 8.3 19.2 304 80 B S T 3 S+ 0 0 100 15,-0.1 -1,-0.2 -226,-0.0 16,-0.1 0.386 84.3 98.9 -86.0 -3.1 11.4 11.2 19.7 305 81 B F S < S- 0 0 48 -3,-1.1 3,-0.1 14,-0.2 14,-0.1 -0.241 82.4-110.1 -93.0-175.6 14.1 13.9 18.7 306 82 B D - 0 0 142 1,-0.2 2,-0.2 -2,-0.1 13,-0.1 0.724 68.9 -34.9-126.7 -39.7 14.2 15.3 15.4 307 83 B G S S- 0 0 23 11,-0.2 13,-1.4 3,-0.0 3,-0.4 -0.870 79.5 -50.5 177.9-153.9 17.3 14.1 13.4 308 84 B E S S- 0 0 100 1,-0.3 13,-0.2 -2,-0.2 20,-0.1 0.662 111.5 -6.4 -98.4 -20.6 20.7 13.1 13.6 309 85 B L + 0 0 50 10,-0.1 2,-0.4 19,-0.1 -1,-0.3 -0.503 68.5 166.5-168.6 93.3 22.6 15.9 15.5 310 86 B R E -U 318 0D 164 8,-2.6 8,-2.9 -3,-0.4 2,-0.4 -0.929 34.6-128.8-119.1 133.3 20.9 19.1 16.5 311 87 B K E +U 317 0D 111 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.701 32.9 167.4 -74.2 127.1 22.1 21.8 19.0 312 88 B V E - 0 0 56 4,-2.7 2,-0.3 1,-0.5 5,-0.2 0.592 63.9 -9.1-112.9 -19.4 19.3 22.4 21.5 313 89 B E E > S-U 316 0D 124 3,-1.6 3,-2.2 0, 0.0 -1,-0.5 -0.948 96.2 -58.9-167.1 168.1 21.1 24.4 24.2 314 90 B D T 3 S+ 0 0 131 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.434 127.1 4.1 -63.3 128.0 24.7 25.4 25.2 315 91 B G T 3 S+ 0 0 36 -2,-0.2 -17,-1.9 1,-0.1 2,-0.5 0.389 114.0 104.3 79.0 -2.6 26.6 22.1 25.6 316 92 B I E < +tU 298 313D 7 -3,-2.2 -4,-2.7 -19,-0.1 -3,-1.6 -0.965 41.8 178.4-126.5 117.5 23.7 20.0 24.5 317 93 B Y E -tU 299 311D 73 -19,-2.8 -17,-3.0 -2,-0.5 2,-0.4 -0.902 15.3-150.5-105.2 141.0 23.0 18.1 21.3 318 94 B H E -tU 300 310D 40 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.4 -0.939 15.8-179.0-107.6 135.3 19.9 16.0 20.6 319 95 B S E -t 301 0D 0 -19,-2.6 -17,-2.3 -2,-0.4 -11,-0.2 -0.999 28.1-156.5-134.1 142.2 20.0 13.0 18.2 320 96 B N S S+ 0 0 15 -13,-1.4 2,-0.3 -2,-0.4 -12,-0.1 0.303 85.3 47.0 -92.6 11.6 17.3 10.6 17.1 321 97 B S > - 0 0 8 -13,-0.2 4,-2.2 -14,-0.2 -1,-0.2 -0.877 57.1-159.0-160.0 117.7 20.0 8.0 16.2 322 98 B L H > S+ 0 0 9 -2,-0.3 4,-0.9 2,-0.2 5,-0.1 0.871 101.2 45.4 -44.0 -50.6 23.2 6.5 18.0 323 99 B R H >> S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.921 115.5 43.9 -93.3 -42.1 24.6 5.3 14.7 324 100 B N H 3> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 110.8 55.9 -74.5 -29.1 24.0 8.5 12.7 325 101 B C H 3X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.866 107.1 49.5 -53.9 -31.0 25.2 10.8 15.5 326 102 B L H < S+ 0 0 13 -4,-2.5 3,-1.1 2,-0.2 -2,-0.3 0.902 109.4 52.8 -61.5 -40.6 27.9 13.1 11.9 329 105 B L H 3< S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 104.3 58.5 -69.8 -38.4 30.4 13.6 14.7 330 106 B Q H 3< S+ 0 0 27 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.2 0.546 76.0 109.0 -39.4 -27.7 33.1 12.0 12.6 331 107 B S S+ 0 0 63 -2,-0.4 4,-1.9 1,-0.2 5,-0.3 0.757 94.6 57.4 -75.2 -18.9 35.9 16.6 9.9 333 109 B L H 4 S+ 0 0 163 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.955 112.2 40.4 -68.9 -50.3 34.0 19.4 8.1 334 110 B A H 4 S+ 0 0 74 1,-0.2 -2,-0.2 -6,-0.2 -1,-0.1 0.898 124.9 36.8 -59.2 -40.2 31.4 19.4 10.9 335 111 B N H >< S- 0 0 17 -4,-2.2 3,-3.3 -7,-0.1 -2,-0.2 0.459 88.9-139.1-114.8 -6.9 33.9 19.0 13.7 336 112 B E T 3< - 0 0 161 -4,-1.9 -3,-0.1 1,-0.4 -4,-0.1 0.717 64.3 -76.2 80.2 20.6 36.9 21.0 12.6 337 113 B N T 3 S+ 0 0 97 -5,-0.3 -1,-0.4 -6,-0.2 -5,-0.1 0.802 106.8 123.9 40.0 38.8 39.1 18.2 13.9 338 114 B K < + 0 0 90 -3,-3.3 -65,-1.7 -6,-0.1 2,-0.6 0.180 42.0 86.6-108.2 16.1 38.4 19.5 17.5 339 115 B I E - r 0 273D 15 -67,-0.2 -65,-0.2 1,-0.2 3,-0.1 -0.991 52.7-171.7-104.6 116.8 36.9 16.3 19.2 340 116 B E E - 0 0 32 -67,-1.6 2,-0.3 -2,-0.6 -66,-0.2 0.965 65.6 -3.6 -41.4 -75.6 39.6 14.1 20.6 341 117 B R E - 0 0 30 -68,-0.2 -66,-2.6 -113,-0.2 2,-0.6 -0.918 57.5-133.6-133.6 158.0 37.5 11.1 21.6 342 118 B I E -nr 230 275D 0 -113,-2.5 -111,-3.5 -2,-0.3 2,-0.5 -0.971 24.5-165.3-108.4 107.6 33.8 10.0 21.7 343 119 B Y E -nr 231 276D 1 -68,-3.1 -66,-2.9 -2,-0.6 2,-0.6 -0.870 10.9-150.3 -94.3 128.3 32.9 8.4 25.0 344 120 B I E -nr 232 277D 0 -113,-2.3 -111,-2.6 -2,-0.5 -66,-0.2 -0.927 16.8-176.5-100.0 116.5 29.7 6.4 25.1 345 121 B I + 0 0 16 -68,-2.9 -67,-0.2 -2,-0.6 2,-0.2 0.217 32.7 172.0-113.1 10.6 28.6 6.8 28.7 346 122 B G - 0 0 1 -69,-0.5 -67,-2.5 1,-0.2 -1,-0.3 -0.486 49.4-120.6 124.6 174.2 25.4 4.7 29.0 347 123 B G > - 0 0 12 -69,-0.3 4,-3.6 -2,-0.2 -1,-0.2 0.332 50.8 -94.4-109.6-137.0 23.1 3.2 29.6 348 124 B G H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 34,-0.1 0.890 121.6 42.6 -54.3 -52.5 22.1 -0.4 29.2 349 125 B E H > S+ 0 0 62 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.901 116.7 49.0 -64.8 -39.8 20.2 -0.1 25.9 350 126 B I H >> S+ 0 0 13 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.952 110.5 50.8 -66.0 -47.1 22.9 2.2 24.5 351 127 B Y H >< S+ 0 0 15 -4,-3.6 3,-0.5 1,-0.2 4,-0.4 0.812 103.6 58.9 -60.5 -39.5 25.7 -0.1 25.5 352 128 B R H >< S+ 0 0 108 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.883 110.4 43.5 -47.3 -45.6 24.0 -3.1 23.8 353 129 B Q H << S+ 0 0 26 -4,-1.3 -1,-0.2 -3,-0.5 3,-0.2 0.558 106.1 62.9 -83.1 -12.1 24.1 -1.2 20.6 354 130 B S T XX S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.5 3,-0.8 0.461 73.9 88.8 -95.5 -3.3 27.7 -0.0 21.0 355 131 B M T <4 S+ 0 0 2 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.917 98.9 39.1 -60.2 -37.6 29.4 -3.5 21.0 356 132 B D T 34 S+ 0 0 42 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.485 119.9 44.9 -91.4 -1.1 29.7 -3.2 17.3 357 133 B L T <4 S+ 0 0 32 -3,-0.8 -2,-0.2 -4,-0.0 -127,-0.2 0.700 90.5 90.8-110.5 -31.9 30.5 0.5 17.2 358 134 B A < - 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