==== 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 3EEJ . 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) . 23937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 62.7 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 . 36 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 15.3 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 2 2 2 1 1 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 0 230 0, 0.0 103,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.5 13.0 -17.8 18.8 2 4 A V - 0 0 17 113,-0.0 113,-0.2 102,-0.0 112,-0.1 -0.919 360.0-107.8 -91.5 135.4 11.6 -17.0 15.3 3 5 A P - 0 0 44 0, 0.0 113,-2.5 0, 0.0 2,-0.5 -0.366 23.5-145.1 -64.4 140.9 14.6 -17.0 12.9 4 6 A V E -a 116 0A 7 111,-0.2 129,-2.9 127,-0.2 130,-1.3 -0.950 22.5-175.4-107.5 120.2 15.8 -13.6 11.6 5 7 A V E -ab 117 134A 0 111,-3.1 113,-2.5 -2,-0.5 2,-0.3 -0.965 18.8-147.5-129.5 118.6 17.0 -13.9 8.0 6 8 A G E -ab 118 135A 0 128,-2.2 130,-3.3 -2,-0.5 2,-0.4 -0.641 18.9-165.9 -79.4 135.8 18.6 -11.3 5.9 7 9 A I E + b 0 136A 5 111,-2.7 2,-0.3 -2,-0.3 130,-0.2 -0.995 18.3 150.5-134.7 132.7 17.8 -11.7 2.2 8 10 A V E - b 0 137A 7 128,-2.3 130,-2.9 -2,-0.4 2,-0.5 -0.991 40.4-135.5-160.3 145.5 19.6 -9.9 -0.6 9 11 A A E - b 0 138A 14 -2,-0.3 2,-0.4 128,-0.2 130,-0.2 -0.980 36.2-179.3-111.9 122.9 20.7 -10.1 -4.2 10 12 A A E - b 0 139A 0 128,-3.3 130,-3.1 -2,-0.5 2,-0.6 -0.985 25.9-131.2-132.4 137.9 24.3 -9.0 -4.6 11 13 A L E >> -Cb 16 140A 3 5,-2.8 4,-1.8 -2,-0.4 5,-1.7 -0.736 44.9 -96.1 -85.6 121.4 26.8 -8.6 -7.5 12 14 A L T 45S+ 0 0 4 128,-2.5 179,-0.0 -2,-0.6 -1,-0.0 -0.301 90.4 18.1 -75.8 157.8 30.2 -10.1 -7.0 13 15 A P T 45S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 128,-0.0 -0.996 134.4 30.5 -87.2 -12.7 33.0 -9.3 -6.2 14 16 A E T 45S- 0 0 40 -3,-0.3 143,-0.3 435,-0.1 -2,-0.2 0.622 97.5-125.6 -80.3 -13.9 32.1 -6.0 -4.4 15 17 A M T <5 - 0 0 2 -4,-1.8 140,-3.0 1,-0.2 2,-0.2 0.927 39.8-176.8 64.4 46.6 28.5 -7.3 -3.3 16 18 A G E < +CD 11 154A 0 -5,-1.7 -5,-2.8 138,-0.2 138,-0.3 -0.550 14.7 170.5 -73.1 142.1 26.8 -4.3 -5.0 17 19 A I E + 0 0 16 136,-3.1 2,-0.3 1,-0.3 137,-0.2 0.430 53.0 18.5-131.0 -7.4 23.0 -4.2 -4.4 18 20 A G E - D 0 153A 9 135,-1.1 134,-2.2 5,-0.2 135,-1.3 -0.990 43.7-164.0-166.1 158.7 21.7 -0.8 -5.7 19 21 A F B > S-L 22 0B 47 3,-2.2 3,-1.9 -2,-0.3 132,-0.1 -0.894 79.4 -13.3-156.4 126.3 22.2 2.3 -7.8 20 22 A Q T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 131,-0.0 0.792 127.9 -49.8 47.0 40.7 20.2 5.6 -7.5 21 23 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.408 122.1 84.6 90.3 1.5 17.4 4.1 -5.3 22 24 A N B < S-L 19 0B 101 -3,-1.9 -3,-2.2 38,-0.0 -1,-0.3 -0.818 86.0 -88.7-133.3 163.4 16.8 1.1 -7.5 23 25 A L - 0 0 103 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.500 34.2-132.1 -68.0 142.2 18.0 -2.5 -8.2 24 26 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.466 86.5 28.4 -78.6 2.3 20.9 -2.6 -10.8 25 27 A W - 0 0 20 124,-0.1 2,-0.4 2,-0.1 -2,-0.1 -0.922 67.9-138.0-149.7 165.0 19.2 -5.5 -12.7 26 28 A R + 0 0 156 -2,-0.3 2,-0.5 4,-0.0 0, 0.0 -0.919 30.2 169.5-131.8 105.1 15.7 -6.8 -13.4 27 29 A L >> - 0 0 5 -2,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.947 22.2-162.2-126.1 108.0 15.8 -10.5 -13.2 28 30 A A H 3> S+ 0 0 51 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.832 90.8 51.4 -60.5 -34.1 12.4 -12.2 -13.2 29 31 A K H 3> S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.778 109.8 47.5 -73.8 -31.2 13.8 -15.5 -11.8 30 32 A E H <> S+ 0 0 18 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.918 112.1 50.6 -72.0 -50.7 15.6 -13.9 -8.9 31 33 A M H X S+ 0 0 68 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.841 108.9 52.9 -53.7 -37.2 12.5 -11.8 -8.1 32 34 A K H X S+ 0 0 95 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.927 109.1 49.3 -68.1 -46.8 10.4 -15.1 -8.2 33 35 A Y H X S+ 0 0 7 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.940 112.6 47.0 -51.8 -53.1 12.9 -16.7 -5.7 34 36 A F H X S+ 0 0 33 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.933 114.0 48.6 -58.9 -47.4 12.6 -13.7 -3.4 35 37 A R H X S+ 0 0 118 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.957 115.5 42.0 -51.1 -59.5 8.8 -13.8 -3.7 36 38 A E H X S+ 0 0 42 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.884 114.6 50.8 -58.5 -44.4 8.4 -17.5 -3.0 37 39 A V H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.953 116.3 39.1 -64.4 -48.3 11.0 -17.6 -0.2 38 40 A T H < S+ 0 0 0 -4,-2.3 10,-0.3 -5,-0.3 -1,-0.2 0.762 122.7 43.4 -74.3 -26.4 9.5 -14.7 1.8 39 41 A T H < S+ 0 0 39 -4,-2.0 9,-0.3 -5,-0.3 -2,-0.2 0.948 97.2 80.3 -82.1 -54.5 5.9 -15.7 1.2 40 42 A L < - 0 0 52 -4,-2.6 2,-0.3 -5,-0.2 3,-0.1 -0.175 55.9-172.3 -61.9 141.9 5.9 -19.4 1.7 41 43 A T - 0 0 28 1,-0.1 137,-0.1 5,-0.1 3,-0.1 -0.932 31.2-136.8-126.0 153.9 5.8 -21.1 5.1 42 44 A N S S+ 0 0 96 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.851 101.9 58.0 -71.6 -34.6 6.1 -24.7 6.3 43 45 A D S > S- 0 0 58 1,-0.1 3,-2.3 -3,-0.1 -1,-0.2 -0.872 77.9-152.8-104.3 115.1 3.2 -24.1 8.6 44 46 A N T 3 S+ 0 0 159 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.585 93.8 58.2 -57.4 -22.1 -0.0 -23.0 6.6 45 47 A S T 3 S+ 0 0 54 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.423 98.2 75.8 -90.9 -4.0 -1.4 -21.1 9.5 46 48 A K < - 0 0 55 -3,-2.3 2,-0.3 67,-0.1 67,-0.2 -0.685 59.7-160.2-101.9 159.2 1.7 -18.8 9.8 47 49 A Q E -e 113 0A 79 65,-1.8 67,-1.7 -2,-0.2 2,-0.3 -0.878 19.5-123.8-120.3 163.5 2.9 -15.8 7.7 48 50 A N E - 0 0 1 21,-0.4 23,-2.2 -9,-0.3 2,-0.4 -0.724 19.8-126.6 -94.8 161.5 6.4 -14.4 7.5 49 51 A V E -ef 116 71A 0 66,-2.3 68,-3.0 -2,-0.3 2,-0.5 -0.818 13.7-158.7 -99.4 144.0 7.4 -10.8 8.3 50 52 A V E -ef 117 72A 0 21,-3.3 23,-2.5 -2,-0.4 2,-0.4 -0.994 10.8-167.8-119.9 125.4 9.3 -8.6 5.8 51 53 A I E +ef 118 73A 0 66,-2.8 68,-2.4 -2,-0.5 69,-0.4 -0.901 14.2 163.7-113.2 135.0 11.1 -5.6 7.4 52 54 A M E - f 0 74A 0 21,-2.5 23,-2.2 -2,-0.4 69,-0.3 -0.987 36.7-102.7-148.2 153.3 12.6 -2.9 5.2 53 55 A G E > - f 0 75A 8 67,-2.0 4,-2.3 -2,-0.3 3,-0.4 -0.403 41.2-105.0 -74.3 161.8 13.9 0.7 5.5 54 56 A R H > S+ 0 0 99 21,-1.6 4,-2.1 1,-0.2 5,-0.1 0.836 118.8 52.5 -54.5 -41.5 11.8 3.7 4.3 55 57 A K H > S+ 0 0 134 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.845 108.3 50.0 -71.2 -33.6 13.8 4.2 1.1 56 58 A T H >> S+ 0 0 34 -3,-0.4 4,-0.8 2,-0.2 3,-0.7 0.943 109.5 52.5 -65.0 -46.4 13.4 0.6 0.1 57 59 A W H >< S+ 0 0 34 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.887 107.5 52.7 -50.1 -47.4 9.6 0.9 0.7 58 60 A E H 3< S+ 0 0 111 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.748 104.6 56.1 -67.7 -24.0 9.5 4.0 -1.5 59 61 A S H << S+ 0 0 50 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.610 83.2 96.1 -82.0 -17.8 11.3 2.1 -4.4 60 62 A I S << S- 0 0 24 -3,-1.0 5,-0.1 -4,-0.8 -38,-0.0 -0.610 92.4-101.7 -71.7 131.4 8.7 -0.7 -4.6 61 63 A P > - 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.310 30.0-121.3 -55.4 137.9 6.1 0.0 -7.3 62 64 A Q G > S+ 0 0 154 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.729 110.6 57.3 -50.8 -32.4 2.9 1.3 -5.7 63 65 A K G 3 S+ 0 0 182 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.716 108.0 49.2 -68.3 -24.8 0.8 -1.5 -7.2 64 66 A F G < S+ 0 0 114 -3,-2.0 -1,-0.2 3,-0.1 -2,-0.2 0.329 90.7 125.1-104.2 9.0 3.0 -4.1 -5.6 65 67 A R < + 0 0 55 -3,-0.7 2,-0.1 -4,-0.3 -8,-0.0 -0.971 55.7 39.0-124.8 141.3 3.1 -2.7 -2.0 66 68 A P S S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.474 101.0-115.2 -72.7 154.3 2.5 -3.8 0.6 67 69 A L > - 0 0 20 -2,-0.1 3,-1.0 1,-0.1 -2,-0.1 -0.375 42.0-110.1 -57.6 121.7 4.1 -7.1 -0.5 68 70 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.209 88.7 10.5 -58.1 143.4 1.1 -9.6 -0.5 69 71 A K T 3 S+ 0 0 148 1,-0.2 -21,-0.4 -3,-0.1 2,-0.3 0.586 109.7 91.3 72.2 13.8 0.7 -12.5 2.0 70 72 A R S < S- 0 0 16 -3,-1.0 2,-0.5 -23,-0.1 -21,-0.2 -0.991 82.9-112.5-135.0 144.0 3.5 -11.2 4.3 71 73 A I E -f 49 0A 37 -23,-2.2 -21,-3.3 -2,-0.3 2,-0.4 -0.665 37.6-149.8 -71.9 121.1 3.4 -8.8 7.2 72 74 A N E -fg 50 90A 0 17,-1.8 19,-2.3 -2,-0.5 2,-0.4 -0.818 14.6-173.1-100.2 134.1 5.3 -5.6 6.0 73 75 A V E -fg 51 91A 0 -23,-2.5 -21,-2.5 -2,-0.4 2,-0.4 -0.994 4.0-165.6-125.6 126.3 7.2 -3.5 8.4 74 76 A V E -fg 52 92A 1 17,-2.8 19,-2.5 -2,-0.4 2,-0.5 -0.944 9.7-151.7-111.1 132.1 8.7 -0.1 7.3 75 77 A V E +fg 53 93A 15 -23,-2.2 -21,-1.6 -2,-0.4 2,-0.3 -0.902 24.6 157.1-110.0 128.9 11.3 1.6 9.6 76 78 A S > - 0 0 18 17,-2.5 3,-1.6 -2,-0.5 -2,-0.0 -0.976 42.5-136.9-146.5 135.7 11.8 5.3 9.7 77 79 A R T 3 S+ 0 0 70 -2,-0.3 17,-0.1 1,-0.3 -1,-0.1 0.725 106.3 61.9 -66.8 -15.9 13.2 7.4 12.4 78 80 A S T 3 S+ 0 0 99 15,-0.1 -1,-0.3 -3,-0.0 16,-0.1 0.456 86.2 100.0 -88.3 4.3 10.4 9.9 11.8 79 81 A F S < S- 0 0 39 -3,-1.6 3,-0.0 14,-0.2 -4,-0.0 -0.329 81.7-108.8 -86.5 174.2 7.7 7.3 12.8 80 82 A D S S- 0 0 123 -2,-0.1 2,-0.2 4,-0.0 13,-0.1 0.766 71.0 -35.0 -83.1 -35.3 6.0 7.1 16.2 81 83 A G S S- 0 0 24 11,-0.2 13,-2.0 3,-0.1 3,-0.3 -0.855 78.7 -51.8 178.3-155.5 7.3 3.9 18.1 82 84 A E S S- 0 0 97 1,-0.3 13,-0.3 -2,-0.2 2,-0.2 0.768 113.1 -9.1 -95.1 -20.1 8.5 0.6 18.1 83 85 A L + 0 0 51 10,-0.1 2,-0.4 19,-0.1 -1,-0.3 -0.603 68.2 168.3-173.1 103.5 5.7 -1.2 16.1 84 86 A R E -H 92 0A 135 8,-2.5 8,-2.8 -3,-0.3 2,-0.3 -0.976 34.6-125.8-128.7 127.3 2.4 0.3 15.1 85 87 A K E +H 91 0A 116 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.562 34.3 166.6 -67.1 126.1 -0.3 -0.9 12.6 86 88 A V E - 0 0 54 4,-2.9 2,-0.3 1,-0.5 5,-0.2 0.609 63.7 -10.5-114.4 -21.1 -0.9 2.0 10.2 87 89 A E E > S-H 90 0A 120 3,-1.6 3,-2.6 0, 0.0 -1,-0.5 -0.957 95.8 -58.0-164.4 166.9 -2.9 0.1 7.4 88 90 A D T 3 S+ 0 0 130 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.354 128.2 3.6 -56.8 122.7 -3.9 -3.4 6.5 89 91 A G T 3 S+ 0 0 36 -2,-0.2 -17,-1.8 1,-0.1 2,-0.5 0.414 114.5 107.1 83.0 -2.8 -0.7 -5.4 6.0 90 92 A I E < +gH 72 87A 13 -3,-2.6 -4,-2.9 -19,-0.1 -3,-1.6 -0.953 40.0 175.8-123.1 123.3 1.4 -2.3 7.1 91 93 A Y E -gH 73 85A 78 -19,-2.3 -17,-2.8 -2,-0.5 2,-0.4 -0.931 15.4-151.4-114.3 138.0 3.4 -1.7 10.3 92 94 A H E -gH 74 84A 43 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.4 -0.936 14.5-178.0-107.0 136.8 5.5 1.4 11.0 93 95 A S E -g 75 0A 0 -19,-2.5 -17,-2.5 -2,-0.4 -11,-0.2 -0.998 27.5-159.1-132.0 141.6 8.5 1.3 13.4 94 96 A N S S+ 0 0 18 -13,-2.0 2,-0.3 -2,-0.4 -12,-0.2 0.343 85.9 49.4 -91.8 8.9 10.9 4.0 14.5 95 97 A S > - 0 0 6 -14,-0.3 4,-2.7 -13,-0.3 5,-0.3 -0.871 57.6-160.4-154.8 111.4 13.5 1.3 15.5 96 98 A L H > S+ 0 0 10 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.949 100.9 43.5 -49.5 -55.3 14.9 -1.7 13.6 97 99 A R H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 115.8 44.7 -59.2 -45.5 16.1 -3.3 16.9 98 100 A N H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 110.2 55.7 -75.0 -35.8 12.9 -2.6 19.0 99 101 A C H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.948 107.3 50.3 -62.4 -38.0 10.6 -3.7 16.2 100 102 A L H X S+ 0 0 13 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.941 111.4 47.6 -61.5 -46.0 12.5 -7.1 16.2 101 103 A T H X S+ 0 0 104 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.937 114.0 48.5 -57.0 -43.5 12.1 -7.4 20.0 102 104 A A H >< S+ 0 0 14 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.970 109.5 51.0 -63.1 -51.5 8.4 -6.5 19.5 103 105 A L H 3< S+ 0 0 13 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.775 105.7 59.0 -53.8 -32.0 7.9 -9.0 16.7 104 106 A Q H 3< S+ 0 0 59 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 0.517 75.1 109.7 -74.2 -11.9 9.5 -11.8 18.9 105 107 A S S+ 0 0 62 -2,-0.5 4,-1.6 1,-0.2 5,-0.2 0.764 94.0 60.1 -65.9 -26.0 4.8 -14.7 21.7 107 109 A L H 4 S+ 0 0 158 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.917 114.5 32.7 -68.2 -44.3 2.1 -12.7 23.5 108 110 A A H 4 S+ 0 0 79 -6,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.875 127.0 40.7 -74.2 -38.8 1.9 -10.2 20.6 109 111 A N H >< S- 0 0 18 -4,-3.0 3,-2.8 -7,-0.2 -3,-0.2 0.549 88.1-145.2 -94.8 -10.4 2.7 -12.6 17.8 110 112 A E T 3< - 0 0 158 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.713 62.1 -76.8 52.2 28.2 0.6 -15.7 19.1 111 113 A N T 3 S+ 0 0 102 -6,-0.2 -1,-0.3 -5,-0.2 -5,-0.1 0.809 107.8 121.9 49.4 33.6 3.4 -17.9 17.6 112 114 A K < + 0 0 92 -3,-2.8 -65,-1.8 -6,-0.1 2,-0.5 0.177 44.5 87.8-109.0 17.7 1.9 -17.2 14.1 113 115 A I E - e 0 47A 13 -67,-0.2 -65,-0.2 1,-0.1 3,-0.1 -0.987 52.5-173.4 -98.8 121.1 5.1 -15.6 12.5 114 116 A E E - 0 0 29 -67,-1.7 2,-0.3 -2,-0.5 -66,-0.2 0.955 66.0 -6.5 -61.4 -59.6 7.4 -18.3 11.0 115 117 A R E - 0 0 30 -68,-0.2 -66,-2.3 -113,-0.2 2,-0.5 -0.950 57.5-134.3-140.9 158.8 10.4 -16.2 10.0 116 118 A I E -ae 4 49A 0 -113,-2.5 -111,-3.1 -2,-0.3 2,-0.5 -0.978 23.7-160.4-114.2 115.4 11.3 -12.6 9.9 117 119 A Y E -ae 5 50A 1 -68,-3.0 -66,-2.8 -2,-0.5 2,-0.7 -0.878 9.9-150.5 -98.6 125.3 13.0 -11.6 6.7 118 120 A I E -ae 6 51A 0 -113,-2.5 -111,-2.7 -2,-0.5 -66,-0.2 -0.894 17.5-178.7 -92.5 112.6 15.1 -8.4 6.5 119 121 A I - 0 0 15 -68,-2.4 -67,-0.2 -2,-0.7 2,-0.1 0.162 32.4-176.3-108.7 15.3 14.7 -7.3 2.9 120 122 A G - 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s 0 300D 0 21,-2.6 23,-2.3 -2,-0.4 69,-0.3 -0.983 35.4-107.9-142.5 151.1 24.3 8.9 26.6 279 55 B G E > - s 0 301D 7 67,-2.2 4,-2.4 -2,-0.3 3,-0.2 -0.395 39.9-105.2 -74.3 163.1 20.8 7.6 26.3 280 56 B R H > S+ 0 0 94 21,-1.5 4,-2.3 1,-0.2 5,-0.1 0.837 118.7 51.7 -56.3 -40.2 17.8 9.7 27.4 281 57 B K H > S+ 0 0 141 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.872 108.9 50.4 -73.0 -37.5 17.2 7.7 30.6 282 58 B T H >> S+ 0 0 34 -3,-0.2 3,-0.8 2,-0.2 4,-0.7 0.939 109.9 51.6 -59.8 -46.7 20.8 8.0 31.7 283 59 B W H >< S+ 0 0 34 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.908 107.3 53.6 -53.5 -47.1 20.6 11.8 31.1 284 60 B E H 3< S+ 0 0 110 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.728 104.4 55.6 -67.1 -21.0 17.5 11.9 33.2 285 61 B S H << S+ 0 0 44 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.599 82.7 98.4 -86.8 -12.5 19.3 10.2 36.1 286 62 B I S << S- 0 0 26 -3,-1.4 5,-0.1 -4,-0.7 -38,-0.0 -0.612 91.2-101.8 -73.1 131.4 22.1 12.8 36.3 287 63 B P > - 0 0 81 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.323 28.8-124.1 -53.2 132.9 21.4 15.3 39.1 288 64 B Q G > S+ 0 0 156 1,-0.3 3,-1.0 2,-0.2 -2,-0.1 0.785 109.5 60.2 -48.4 -38.4 20.1 18.6 37.5 289 65 B K G 3 S+ 0 0 189 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.658 109.1 45.5 -58.6 -24.8 22.9 20.6 39.2 290 66 B F G < S+ 0 0 118 -3,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.390 91.1 126.0-111.1 1.6 25.5 18.5 37.4 291 67 B R < + 0 0 62 -3,-1.0 2,-0.2 -4,-0.4 -8,-0.0 -0.931 53.7 40.9-119.1 147.6 24.2 18.3 33.8 292 68 B P S S- 0 0 41 0, 0.0 24,-0.1 0, 0.0 3,-0.1 0.532 101.9-112.1 -66.4 155.1 25.2 18.9 31.1 293 69 B L > - 0 0 20 -2,-0.2 3,-1.0 1,-0.1 -2,-0.1 -0.408 42.5-109.8 -59.5 123.3 28.5 17.3 32.2 294 70 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.231 89.5 9.2 -59.6 140.2 31.0 20.3 32.2 295 71 B K T 3 S+ 0 0 148 1,-0.2 -21,-0.5 -3,-0.1 2,-0.3 0.595 109.2 92.7 70.2 16.5 33.8 20.8 29.7 296 72 B R S < S- 0 0 16 -3,-1.0 2,-0.5 -23,-0.1 -21,-0.2 -0.990 83.0-112.6-133.2 143.2 32.6 17.9 27.5 297 73 B I E -s 275 0D 38 -23,-2.3 -21,-3.2 -2,-0.3 2,-0.5 -0.657 38.7-149.1 -70.2 119.4 30.3 18.0 24.5 298 74 B N E -st 276 316D 0 17,-1.7 19,-2.5 -2,-0.5 2,-0.4 -0.834 16.1-174.7 -95.6 132.5 27.1 16.2 25.7 299 75 B V E -st 277 317D 0 -23,-2.7 -21,-2.6 -2,-0.5 2,-0.4 -0.991 4.1-166.5-126.0 127.3 24.9 14.3 23.3 300 76 B V E -st 278 318D 2 17,-2.6 19,-2.1 -2,-0.4 2,-0.5 -0.933 10.1-149.8-113.3 132.2 21.6 12.7 24.4 301 77 B V E +st 279 319D 13 -23,-2.3 -21,-1.5 -2,-0.4 2,-0.3 -0.881 24.3 158.6-110.6 131.0 19.9 10.2 22.3 302 78 B S > - 0 0 18 17,-2.4 3,-1.5 -2,-0.5 -2,-0.0 -0.987 41.6-136.2-146.2 137.1 16.1 9.7 22.1 303 79 B R T 3 S+ 0 0 68 -2,-0.3 17,-0.1 1,-0.3 -1,-0.1 0.673 106.5 61.2 -68.7 -11.4 14.0 8.2 19.4 304 80 B S T 3 S+ 0 0 100 15,-0.1 -1,-0.3 -3,-0.0 16,-0.1 0.379 84.9 97.1 -99.1 8.4 11.6 11.0 19.9 305 81 B F S < S- 0 0 46 -3,-1.5 3,-0.1 14,-0.2 14,-0.0 -0.184 82.9-106.5 -94.9-170.5 14.1 13.8 18.9 306 82 B D - 0 0 142 1,-0.2 2,-0.3 -2,-0.1 13,-0.1 0.767 67.8 -43.3-124.8 -43.0 14.3 15.3 15.5 307 83 B G S S- 0 0 22 11,-0.1 13,-1.5 3,-0.0 3,-0.3 -0.823 79.5 -37.1-179.3-147.4 17.4 14.0 13.6 308 84 B E S S- 0 0 96 1,-0.3 13,-0.3 -2,-0.3 2,-0.2 0.681 110.7 -15.8 -97.0 -32.8 20.8 13.3 13.5 309 85 B L + 0 0 50 10,-0.1 2,-0.4 11,-0.1 -1,-0.3 -0.652 67.1 171.1-171.4 101.0 22.7 15.8 15.7 310 86 B R E -U 318 0D 156 8,-3.0 8,-3.3 -3,-0.3 2,-0.4 -0.975 32.6-127.9-125.0 129.7 21.0 19.1 16.7 311 87 B K E +U 317 0D 106 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.644 32.5 167.7 -68.6 126.4 22.3 21.7 19.2 312 88 B V E - 0 0 60 4,-2.9 2,-0.3 1,-0.4 5,-0.2 0.589 64.3 -11.7-115.5 -21.6 19.4 22.3 21.6 313 89 B E E > S-U 316 0D 128 3,-1.7 3,-2.1 0, 0.0 -1,-0.4 -0.948 94.4 -57.9-162.2 174.3 21.3 24.4 24.3 314 90 B D T 3 S+ 0 0 133 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.466 127.5 5.6 -63.9 124.1 24.9 25.3 25.3 315 91 B G T 3 S+ 0 0 38 -2,-0.3 -17,-1.7 1,-0.1 2,-0.4 0.371 115.1 103.5 86.4 -5.0 26.8 22.1 25.9 316 92 B I E < +tU 298 313D 11 -3,-2.1 -4,-2.9 -19,-0.1 -3,-1.7 -0.957 40.8 175.5-129.2 121.2 23.8 20.0 24.7 317 93 B Y E -tU 299 311D 80 -19,-2.5 -17,-2.6 -2,-0.4 2,-0.4 -0.891 16.1-151.0-112.5 143.8 23.1 18.1 21.4 318 94 B H E +tU 300 310D 43 -8,-3.3 -8,-3.0 -2,-0.4 2,-0.3 -0.940 16.1 177.3-115.2 137.9 20.1 16.0 20.7 319 95 B S E -t 301 0D 0 -19,-2.1 -17,-2.4 -2,-0.4 -11,-0.2 -0.998 29.1-154.0-137.4 144.0 20.1 13.0 18.3 320 96 B N S S+ 0 0 14 -13,-1.5 2,-0.3 -2,-0.3 -12,-0.1 0.272 85.4 51.8 -92.8 15.7 17.5 10.4 17.3 321 97 B S > - 0 0 8 -13,-0.3 4,-2.8 -14,-0.2 5,-0.2 -0.837 57.9-159.6-157.9 110.8 20.1 7.9 16.4 322 98 B L H > S+ 0 0 10 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.896 101.9 42.7 -37.5 -54.3 23.2 6.4 18.2 323 99 B R H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.870 115.5 45.8 -90.7 -38.4 24.8 5.3 15.0 324 100 B N H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.870 110.6 55.5 -73.6 -33.1 24.0 8.4 12.9 325 101 B C H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.890 107.0 50.5 -50.0 -35.7 25.2 10.7 15.7 326 102 B L H X S+ 0 0 16 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.917 112.4 45.3 -94.2 -41.9 28.5 8.9 15.7 327 103 B T H < S+ 0 0 98 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.929 113.4 50.8 -60.2 -46.5 28.9 9.3 11.9 328 104 B A H >< S+ 0 0 17 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.956 108.9 51.7 -56.9 -49.3 27.8 13.0 12.2 329 105 B L H 3< S+ 0 0 14 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.840 103.5 59.5 -62.3 -38.3 30.4 13.5 14.9 330 106 B Q T 3< S+ 0 0 55 -4,-2.1 2,-0.5 -5,-0.1 -1,-0.3 0.466 73.7 112.6 -46.6 -18.5 33.1 12.0 12.8 331 107 B S <> - 0 0 47 -3,-1.8 4,-2.4 -4,-0.4 3,-0.2 -0.561 55.9-157.4 -71.1 117.1 32.8 14.5 10.0 332 108 B S H > S+ 0 0 64 -2,-0.5 4,-2.1 1,-0.2 5,-0.5 0.796 93.8 58.3 -66.6 -24.9 36.1 16.5 10.1 333 109 B L H 4 S+ 0 0 162 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.879 112.5 38.3 -68.6 -39.8 34.2 19.3 8.3 334 110 B A H 4 S+ 0 0 77 -3,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.848 123.8 39.8 -77.2 -34.2 31.6 19.5 11.1 335 111 B N H >< S- 0 0 20 -4,-2.4 3,-3.1 -7,-0.1 -2,-0.2 0.520 89.9-140.1-112.1 -7.3 34.1 18.9 14.0 336 112 B E T 3< - 0 0 161 -4,-2.1 -3,-0.1 1,-0.4 -4,-0.1 0.769 63.0 -74.6 85.6 26.9 37.0 21.0 12.7 337 113 B N T 3 S+ 0 0 97 -5,-0.5 -1,-0.4 -6,-0.2 -5,-0.1 0.784 108.6 119.5 42.0 38.8 39.3 18.2 14.0 338 114 B K < + 0 0 88 -3,-3.1 -65,-1.5 -6,-0.1 2,-0.5 0.161 41.0 89.2-117.3 19.8 38.7 19.4 17.6 339 115 B I E - r 0 273D 13 -67,-0.2 -65,-0.2 1,-0.2 3,-0.1 -0.985 51.3-172.9 -97.5 119.7 37.0 16.3 19.4 340 116 B E E - 0 0 30 -67,-1.5 2,-0.3 -2,-0.5 -66,-0.2 0.971 66.0 -2.4 -57.4 -63.1 39.8 14.1 20.8 341 117 B R E - 0 0 30 -68,-0.2 -66,-2.5 -113,-0.2 2,-0.5 -0.941 57.0-137.2-137.2 154.4 37.6 11.1 21.8 342 118 B I E -nr 230 275D 0 -113,-2.3 -111,-3.1 -2,-0.3 2,-0.5 -0.980 24.3-162.5-109.2 115.7 34.0 10.1 21.8 343 119 B Y E -nr 231 276D 1 -68,-3.0 -66,-3.2 -2,-0.5 2,-0.7 -0.878 11.0-149.5-100.4 124.8 33.0 8.4 25.1 344 120 B I E -nr 232 277D 0 -113,-2.6 -111,-2.7 -2,-0.5 -66,-0.2 -0.905 17.9-178.1 -93.1 115.4 29.9 6.4 25.2 345 121 B I - 0 0 15 -68,-2.7 -67,-0.2 -2,-0.7 2,-0.1 0.185 32.1-178.4-111.7 15.5 28.7 6.7 28.9 346 122 B G - 0 0 1 -69,-0.4 -67,-2.2 1,-0.2 -1,-0.3 -0.413 48.1-132.9 113.9 177.9 25.6 4.6 29.1 347 123 B G > - 0 0 16 -69,-0.3 4,-3.2 -2,-0.1 -1,-0.2 0.308 52.1 -91.9-105.9-137.4 23.2 3.2 29.9 348 124 B G H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 122.3 44.0 -56.5 -49.0 22.3 -0.5 29.4 349 125 B E H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 115.9 48.9 -70.3 -36.8 20.4 -0.2 26.1 350 126 B I H 4 S+ 0 0 14 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.956 110.6 50.5 -64.0 -48.9 23.0 2.2 24.7 351 127 B Y H >< S+ 0 0 14 -4,-3.2 3,-1.0 1,-0.2 4,-0.5 0.834 104.1 58.9 -55.9 -40.7 25.8 -0.2 25.7 352 128 B R H >< S+ 0 0 113 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.881 109.9 43.9 -52.4 -44.1 24.0 -3.1 24.0 353 129 B Q T 3< S+ 0 0 26 -4,-1.4 -1,-0.3 -3,-0.5 3,-0.2 0.508 106.8 63.1 -82.0 -5.0 24.1 -1.2 20.7 354 130 B S T X> S+ 0 0 0 -3,-1.0 4,-2.6 -4,-0.5 3,-1.1 0.498 71.5 90.2-102.5 -6.0 27.8 -0.1 21.2 355 131 B M T <4 S+ 0 0 3 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.864 98.1 39.5 -60.0 -34.0 29.6 -3.5 21.2 356 132 B D T 34 S+ 0 0 52 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.485 118.8 47.2 -94.2 -3.7 29.9 -3.2 17.5 357 133 B L T <4 S+ 0 0 33 -3,-1.1 -2,-0.2 -4,-0.0 -127,-0.2 0.706 90.2 87.8-103.5 -35.1 30.7 0.5 17.4 358 134 B A < - 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