==== 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, TRANSFERASE 11-SEP-09 3JSU . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.CHITNUMSUB,C.MANEERUTTANARUNGROJ,S.KAMCHONWONGPAISAN,Y.YUT . 1087 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 761 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 12.5 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 . 6 0.6 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 . 120 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 2 6 3 4 1 4 1 4 2 0 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 4 2 1 0 1 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 2 0 0 0 1 1 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 1 A M 0 0 245 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.7 48.5 -22.9 52.9 2 2 A M - 0 0 156 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.827 360.0-114.2 -95.9 113.7 46.5 -22.3 56.1 3 3 A E - 0 0 88 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.100 26.3-122.1 -42.3 150.5 43.6 -19.9 55.7 4 4 A Q >> - 0 0 103 1,-0.1 4,-1.5 165,-0.0 3,-1.5 -0.774 19.0-116.8-101.6 146.5 43.6 -16.5 57.4 5 5 A V H 3> S+ 0 0 41 -2,-0.3 4,-2.2 1,-0.3 3,-0.5 0.900 111.1 56.2 -42.7 -60.3 40.9 -15.4 59.8 6 6 A C H 34>S+ 0 0 1 162,-0.3 5,-1.5 1,-0.2 4,-0.4 0.731 108.4 49.9 -48.9 -28.3 39.6 -12.4 57.7 7 7 A D H <45S+ 0 0 60 -3,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.891 111.0 44.4 -81.8 -41.4 39.0 -14.8 54.7 8 8 A V H <5S+ 0 0 2 -4,-1.5 69,-0.2 -3,-0.5 -2,-0.2 0.946 123.6 35.3 -68.2 -48.1 37.0 -17.5 56.4 9 9 A F T <5S- 0 0 1 -4,-2.2 143,-0.3 -5,-0.2 -1,-0.2 0.489 102.8-130.2 -86.4 -2.9 34.8 -15.1 58.4 10 10 A D T 5 - 0 0 0 -4,-0.4 142,-2.7 -5,-0.3 2,-0.7 0.968 34.2-177.2 52.3 63.1 34.6 -12.4 55.6 11 11 A I E < +a 152 0A 0 -5,-1.5 160,-2.4 158,-0.2 161,-0.4 -0.836 5.8 172.4 -98.0 111.9 35.5 -9.5 57.8 12 12 A Y E -a 153 0A 0 140,-3.3 142,-2.4 -2,-0.7 2,-0.4 -0.671 23.0-137.3-111.7 167.0 35.5 -6.2 55.9 13 13 A A E -ab 154 173A 1 159,-2.4 161,-3.1 140,-0.2 2,-0.4 -0.944 15.0-170.7-124.4 146.8 35.8 -2.6 56.9 14 14 A I E + b 0 174A 4 140,-1.3 2,-0.3 -2,-0.4 161,-0.2 -0.997 16.8 151.1-137.9 138.9 33.7 0.4 55.6 15 15 A C E - b 0 175A 9 159,-2.7 161,-2.2 -2,-0.4 2,-0.4 -0.960 35.6-130.4-157.7 173.9 34.3 4.1 56.3 16 16 A A E - b 0 176A 14 -2,-0.3 2,-0.4 159,-0.2 161,-0.2 -0.964 25.8-174.1-137.6 116.5 33.9 7.6 55.0 17 17 A C E - b 0 177A 0 159,-3.2 161,-3.9 -2,-0.4 2,-0.2 -0.892 4.8-173.5-117.8 145.8 36.8 10.1 55.0 18 18 A C E -C 39 0A 0 21,-0.9 21,-2.1 -2,-0.4 20,-1.8 -0.508 42.7 -75.1-117.5-173.4 37.1 13.8 54.2 19 19 A K E -Cb 37 181A 15 161,-2.5 163,-1.8 159,-0.3 18,-0.2 -0.788 50.0-124.7 -91.6 125.8 39.9 16.2 53.8 20 20 A V E - b 0 182A 22 16,-0.8 2,-1.1 -2,-0.5 163,-0.2 -0.280 21.3-112.7 -66.2 154.8 41.4 17.2 57.1 21 21 A E + 0 0 117 161,-0.6 2,-0.3 163,-0.1 -1,-0.1 -0.270 41.6 174.6 -87.2 49.9 41.7 20.9 58.0 22 22 A S - 0 0 63 -2,-1.1 3,-0.1 1,-0.2 161,-0.0 -0.428 35.7-132.8 -56.4 115.5 45.5 21.2 57.9 23 23 A K - 0 0 169 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.898 59.2 -86.5 -34.4 -64.0 45.8 25.0 58.4 24 24 A N - 0 0 79 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.656 28.5-154.4 155.1 148.6 48.3 25.0 55.5 25 25 A E S S- 0 0 190 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.024 102.5 -51.9-116.9 12.5 51.8 24.7 54.3 26 26 A G - 0 0 14 1,-0.1 -1,-0.2 4,-0.0 -2,-0.1 0.360 39.6-134.9 114.0 113.0 50.3 26.9 51.7 27 27 A K S S+ 0 0 118 1,-0.1 2,-1.5 -4,-0.1 3,-0.4 0.470 87.4 110.6 -68.5 3.4 47.1 26.1 49.8 28 28 A K S S- 0 0 179 1,-0.3 -1,-0.1 0, 0.0 -4,-0.0 -0.653 101.8 -31.3 -81.0 85.8 49.7 27.3 47.3 29 29 A N S S- 0 0 124 -2,-1.5 2,-0.3 1,-0.1 -1,-0.3 0.982 81.0-169.7 62.4 86.5 50.4 24.1 45.5 30 30 A E - 0 0 72 -3,-0.4 2,-0.2 1,-0.0 -1,-0.1 -0.809 22.9-112.6-106.7 146.9 49.9 21.3 48.0 31 31 A V - 0 0 122 -2,-0.3 2,-0.4 507,-0.1 509,-0.1 -0.489 28.4-153.1 -76.9 147.1 50.8 17.6 47.4 32 32 A F + 0 0 25 507,-0.2 2,-0.3 -2,-0.2 509,-0.1 -0.989 23.3 155.9-127.4 127.4 48.0 15.1 47.2 33 33 A N > - 0 0 79 -2,-0.4 3,-2.1 507,-0.1 4,-0.2 -0.776 61.4 -88.9-133.9 177.9 48.2 11.4 48.1 34 34 A N G > S+ 0 0 46 1,-0.3 3,-1.5 -2,-0.3 157,-0.0 0.811 122.9 71.1 -62.3 -26.1 45.6 8.8 49.1 35 35 A Y G 3 S+ 0 0 80 1,-0.3 -1,-0.3 156,-0.1 -3,-0.0 0.549 74.5 87.3 -66.6 -5.5 46.4 10.0 52.7 36 36 A T G < S+ 0 0 17 -3,-2.1 2,-0.8 1,-0.2 -16,-0.8 0.848 81.8 60.5 -62.1 -34.5 44.6 13.2 51.8 37 37 A F E < +C 19 0A 4 -3,-1.5 -18,-0.2 -4,-0.2 -1,-0.2 -0.841 65.0 114.8 -99.6 102.3 41.3 11.6 52.8 38 38 A R E + 0 0 53 -20,-1.8 150,-2.2 -2,-0.8 2,-0.9 0.330 25.9 127.8-148.8 4.3 41.4 10.7 56.4 39 39 A G E +CD 18 187A 0 -21,-2.1 -21,-0.9 148,-0.2 148,-0.2 -0.600 20.4 162.3 -75.8 107.8 38.9 12.7 58.4 40 40 A L E - 0 0 22 146,-1.6 2,-0.3 -2,-0.9 147,-0.2 0.872 56.4 -22.0 -90.7 -46.6 36.8 10.3 60.4 41 41 A G E - D 0 186A 10 145,-1.5 144,-2.4 5,-0.2 145,-2.1 -0.982 42.8-145.2-160.2 172.3 35.2 12.5 63.1 42 42 A N B > S-K 45 0B 24 3,-3.3 3,-1.7 -2,-0.3 142,-0.1 -0.964 80.4 -7.6-149.6 127.4 35.2 15.7 65.2 43 43 A K T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.905 129.2 -51.3 54.0 47.8 34.0 16.2 68.8 44 44 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.292 127.4 66.9 78.3 -11.6 32.6 12.7 69.1 45 45 A V B < S-K 42 0B 84 -3,-1.7 -3,-3.3 1,-0.1 -1,-0.2 -0.616 96.1 -56.6-128.2-171.8 30.5 12.9 65.9 46 46 A L - 0 0 89 -5,-0.2 -5,-0.2 -2,-0.2 -1,-0.1 -0.455 39.2-133.3 -71.7 138.6 30.9 13.2 62.1 47 47 A P S S+ 0 0 20 0, 0.0 136,-0.3 0, 0.0 2,-0.2 0.829 90.7 57.9 -59.3 -34.4 32.9 16.1 60.7 48 48 A W S S- 0 0 10 1,-0.1 3,-0.1 134,-0.1 -2,-0.1 -0.624 83.2-129.1 -98.4 158.4 30.2 16.9 58.1 49 49 A K S S- 0 0 205 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.993 79.5 -25.8 -69.1 -62.1 26.6 17.7 58.8 50 50 A C + 0 0 64 158,-0.1 2,-0.3 157,-0.1 -1,-0.3 -0.948 45.7 179.4-159.6 134.2 24.9 15.2 56.5 51 51 A I >> - 0 0 2 -2,-0.3 4,-1.7 -3,-0.1 3,-1.2 -0.704 11.0-173.0-136.2 80.0 25.8 13.4 53.3 52 52 A S H 3> S+ 0 0 64 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.769 80.4 60.2 -45.2 -38.7 22.8 11.3 52.4 53 53 A L H 3> S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.921 107.2 46.3 -61.1 -42.0 24.5 9.5 49.5 54 54 A D H <> S+ 0 0 16 -3,-1.2 4,-3.2 2,-0.2 -1,-0.2 0.909 113.0 49.9 -65.5 -40.6 27.2 8.1 51.8 55 55 A M H X S+ 0 0 94 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.919 111.7 48.9 -61.7 -43.6 24.5 7.1 54.3 56 56 A K H X S+ 0 0 62 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.903 114.3 44.1 -63.0 -44.2 22.6 5.4 51.6 57 57 A Y H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.943 112.3 54.1 -66.0 -46.5 25.7 3.5 50.3 58 58 A F H X S+ 0 0 52 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.905 113.4 41.3 -52.5 -47.6 26.6 2.7 53.9 59 59 A R H X S+ 0 0 106 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.919 113.9 53.4 -68.6 -44.6 23.2 1.1 54.6 60 60 A A H >X S+ 0 0 32 -4,-2.6 4,-1.2 -5,-0.2 3,-0.6 0.947 114.4 40.8 -55.1 -52.2 23.1 -0.6 51.2 61 61 A V H >< S+ 0 0 0 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.944 114.0 48.7 -64.4 -53.9 26.5 -2.2 51.7 62 62 A T H 3< S+ 0 0 0 -4,-2.2 29,-0.2 -5,-0.3 -1,-0.2 0.528 117.7 42.2 -69.3 -4.5 26.3 -3.3 55.3 63 63 A T H << S+ 0 0 35 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.2 0.595 84.6 107.2-116.0 -15.1 22.8 -4.9 54.8 64 64 A Y << + 0 0 71 -4,-1.2 2,-0.3 -3,-0.5 87,-0.1 -0.486 41.0 171.6 -71.3 129.7 23.1 -6.7 51.5 65 65 A V - 0 0 27 -2,-0.3 2,-0.7 24,-0.1 26,-0.0 -0.986 28.4-143.2-136.8 146.8 23.3 -10.5 51.7 66 66 A N >> - 0 0 32 -2,-0.3 3,-2.5 1,-0.2 4,-0.6 -0.856 10.9-164.9-114.2 95.1 23.1 -13.2 49.0 67 67 A E H >> S+ 0 0 112 -2,-0.7 3,-1.9 1,-0.3 4,-0.6 0.874 87.1 56.1 -41.5 -55.4 21.2 -16.1 50.4 68 68 A S H 34 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.609 105.8 53.2 -59.1 -13.0 22.3 -18.5 47.7 69 69 A K H <> S+ 0 0 21 -3,-2.5 4,-1.0 2,-0.1 -1,-0.3 0.557 89.8 77.1 -99.4 -9.6 26.0 -17.8 48.6 70 70 A Y H XX S+ 0 0 34 -3,-1.9 4,-2.6 -4,-0.6 3,-0.6 0.920 82.5 63.3 -66.5 -45.9 25.7 -18.5 52.3 71 71 A E H 3X S+ 0 0 155 -4,-0.6 4,-2.0 1,-0.3 -1,-0.2 0.871 105.5 47.6 -45.9 -44.5 25.8 -22.3 52.0 72 72 A K H 3> S+ 0 0 99 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.836 112.0 49.3 -67.3 -35.3 29.3 -22.1 50.6 73 73 A L H <>S+ 0 0 23 -4,-3.3 5,-2.3 2,-0.2 3,-1.4 0.985 111.4 51.3 -63.1 -55.5 32.6 -25.0 59.6 79 79 A K H ><5S+ 0 0 118 -4,-3.4 3,-1.4 -5,-0.3 -1,-0.2 0.875 108.9 53.8 -47.1 -41.4 35.4 -26.8 57.8 80 80 A Y H 3<5S+ 0 0 78 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.814 109.6 45.9 -64.0 -33.2 37.8 -24.3 59.3 81 81 A L T <<5S- 0 0 54 -3,-1.4 -1,-0.3 -4,-1.4 -2,-0.2 0.235 115.5-116.0 -93.5 12.5 36.5 -25.0 62.8 82 82 A N T < 5S+ 0 0 156 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.2 0.757 71.5 142.3 58.1 24.3 36.7 -28.8 62.1 83 83 A K < - 0 0 134 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.866 50.8-134.2-100.1 122.0 32.9 -28.7 62.5 84 84 A E 0 0 171 -2,-0.6 -9,-0.0 1,-0.1 0, 0.0 -0.649 360.0 360.0 -78.8 121.0 31.0 -31.1 60.2 85 85 A T 0 0 131 -2,-0.5 -1,-0.1 -10,-0.1 -7,-0.1 -0.168 360.0 360.0 57.5 360.0 28.0 -29.2 58.7 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 96 A K 0 0 243 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.3 15.4 -15.7 60.6 88 97 A K - 0 0 135 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.434 360.0 -96.6 -66.6 138.3 16.4 -13.9 57.4 89 98 A L - 0 0 19 -2,-0.1 2,-0.3 60,-0.1 60,-0.1 -0.320 53.2-178.2 -58.8 134.1 20.1 -14.1 56.7 90 99 A Q - 0 0 38 58,-0.5 60,-2.0 -3,-0.1 2,-0.2 -0.871 25.2-116.6-133.5 165.0 21.9 -11.0 57.9 91 100 A N E -e 113 0A 0 21,-0.6 23,-2.7 -2,-0.3 2,-0.4 -0.538 29.0-121.8 -93.9 166.3 25.4 -9.4 58.1 92 101 A V E -ef 114 152A 0 59,-2.9 61,-3.0 21,-0.2 2,-0.4 -0.910 21.3-163.2-110.7 135.1 27.2 -8.6 61.3 93 102 A V E -ef 115 153A 0 21,-2.3 23,-1.5 -2,-0.4 2,-0.5 -0.971 2.6-162.2-118.9 136.1 28.3 -5.1 62.0 94 103 A V E +ef 116 154A 0 59,-2.8 61,-1.5 -2,-0.4 62,-0.7 -0.976 13.7 173.5-119.6 127.2 30.9 -4.4 64.7 95 104 A M E -ef 117 156A 0 21,-2.5 23,-1.8 -2,-0.5 62,-0.1 -0.992 30.3-116.4-138.5 143.5 31.4 -0.9 66.2 96 105 A G E > -e 118 0A 7 60,-1.8 4,-2.6 -2,-0.4 5,-0.2 -0.227 37.7-106.7 -66.5 163.3 33.5 0.6 69.0 97 106 A R H > S+ 0 0 73 21,-1.0 4,-3.1 2,-0.2 5,-0.3 0.954 118.4 49.7 -58.3 -55.2 31.7 2.1 72.0 98 107 A T H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.932 113.1 48.7 -49.5 -49.7 32.3 5.7 71.1 99 108 A N H 4 S+ 0 0 34 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.912 111.2 50.0 -57.4 -45.4 31.0 5.1 67.6 100 109 A W H >< S+ 0 0 7 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.930 110.6 49.1 -59.8 -46.3 28.0 3.3 68.9 101 110 A E H 3< S+ 0 0 105 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.715 102.3 63.6 -67.5 -19.5 27.2 6.2 71.3 102 111 A S T 3< S+ 0 0 44 -4,-1.4 -1,-0.3 -3,-0.4 -56,-0.2 0.525 85.5 91.9 -82.9 -4.7 27.6 8.7 68.4 103 112 A I S < S- 0 0 28 -3,-1.5 5,-0.1 -4,-0.3 4,-0.0 -0.799 88.1-106.8 -96.0 129.4 24.6 7.1 66.6 104 113 A P >> - 0 0 69 0, 0.0 3,-2.9 0, 0.0 4,-0.7 -0.241 27.4-119.9 -53.9 131.2 21.1 8.6 67.2 105 114 A K G >4 S+ 0 0 157 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.828 109.3 64.4 -39.5 -49.6 18.9 6.4 69.4 106 115 A K G 34 S+ 0 0 181 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.533 104.3 47.6 -58.4 -6.5 16.2 6.0 66.7 107 116 A F G <4 S+ 0 0 109 -3,-2.9 4,-0.4 3,-0.1 -1,-0.3 0.593 90.5 131.9-107.4 -16.5 18.8 4.2 64.5 108 117 A K << + 0 0 26 -3,-1.7 2,-0.1 -4,-0.7 -8,-0.0 -0.744 61.8 30.9 -96.4 134.8 20.0 1.8 67.1 109 118 A P S S- 0 0 48 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.579 104.3-112.9 -78.3 154.7 20.4 -1.1 66.8 110 119 A L > - 0 0 13 -2,-0.1 3,-0.9 1,-0.1 5,-0.1 -0.288 42.4-108.6 -53.6 121.6 21.1 -0.8 63.1 111 120 A S T 3 S+ 0 0 51 -4,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.064 91.0 7.9 -55.2 153.3 18.2 -2.5 61.3 112 121 A N T 3 S+ 0 0 77 1,-0.1 -21,-0.6 -3,-0.1 2,-0.3 0.755 110.7 96.4 43.7 36.8 18.5 -5.8 59.6 113 122 A R E < S-e 91 0A 19 -3,-0.9 2,-1.0 -23,-0.2 -21,-0.2 -0.994 79.8-116.1-151.1 144.2 22.0 -6.4 61.0 114 123 A I E -e 92 0A 31 -23,-2.7 -21,-2.3 -2,-0.3 2,-0.2 -0.721 38.4-146.0 -83.8 104.7 23.5 -8.2 63.9 115 124 A N E -e 93 0A 5 -2,-1.0 17,-2.1 15,-0.4 2,-0.4 -0.502 18.8-176.8 -75.8 141.2 25.0 -5.4 66.0 116 125 A V E -eg 94 132A 0 -23,-1.5 -21,-2.5 15,-0.2 2,-0.4 -0.998 7.1-159.2-136.8 134.6 28.2 -6.1 68.0 117 126 A I E -eg 95 133A 0 15,-3.0 17,-2.4 -2,-0.4 2,-0.4 -0.963 9.4-145.7-125.2 132.4 29.9 -3.6 70.3 118 127 A L E +eg 96 134A 18 -23,-1.8 -21,-1.0 -2,-0.4 2,-0.3 -0.782 41.3 134.3 -91.7 132.9 33.5 -3.5 71.5 119 128 A S - 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I 0 196A 42 -48,-2.2 2,-0.3 -2,-0.4 -23,-0.2 -0.491 40.7-147.6 -67.8 134.7 44.4 -7.1 50.9 220 229 A T - 0 0 35 -25,-2.4 2,-1.0 -2,-0.2 -1,-0.0 -0.786 21.0-103.2-109.0 152.9 47.3 -8.1 48.7 221 230 A N 0 0 163 -2,-0.3 -26,-0.0 1,-0.1 -2,-0.0 -0.615 360.0 360.0 -73.6 103.5 49.4 -11.2 48.8 222 231 A N 0 0 185 -2,-1.0 -1,-0.1 -27,-0.1 -27,-0.1 -0.305 360.0 360.0 -53.9 360.0 52.7 -9.9 50.4 223 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 224 283 A D 0 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.0 22.3 -20.6 33.9 225 284 A D + 0 0 51 2,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.794 360.0 62.1-139.3 93.1 25.2 -22.2 32.1 226 285 A E S >> S+ 0 0 34 -2,-0.3 4,-1.6 0, 0.0 3,-1.0 0.005 89.9 65.5-173.5 -44.0 24.7 -22.8 28.3 227 286 A E T 34 S+ 0 0 26 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 0.279 97.7 65.7 -76.0 13.0 24.3 -19.2 27.1 228 287 A E T 3> S+ 0 0 104 2,-0.1 4,-1.1 3,-0.1 -1,-0.3 0.688 98.1 47.6-102.1 -33.0 27.9 -19.1 28.3 229 288 A D H <> S+ 0 0 2 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.870 108.3 56.4 -74.5 -38.1 29.2 -21.5 25.7 230 289 A D H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.815 101.8 56.8 -62.6 -31.0 27.4 -19.6 23.0 231 290 A F H > S+ 0 0 89 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.905 105.6 50.8 -65.6 -40.9 29.3 -16.5 24.1 232 291 A V H >< S+ 0 0 53 -4,-1.1 3,-0.5 1,-0.2 -2,-0.2 0.861 108.5 53.6 -63.6 -37.4 32.5 -18.3 23.5 233 292 A Y H >< S+ 0 0 4 -4,-1.8 3,-2.5 1,-0.2 -2,-0.2 0.964 101.9 55.0 -64.0 -53.1 31.3 -19.3 20.0 234 293 A F H 3< S+ 0 0 6 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.666 103.8 57.9 -56.9 -15.8 30.4 -15.8 18.8 235 294 A N T X< S+ 0 0 50 -4,-0.7 3,-0.7 -3,-0.5 -1,-0.3 0.144 72.1 112.9 -99.5 19.7 34.0 -14.8 19.7 236 295 A F T < S+ 0 0 22 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.720 79.4 42.8 -62.7 -24.1 35.3 -17.4 17.3 237 296 A N T 3 S+ 0 0 57 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 0.552 77.5 123.1-102.2 -9.4 36.7 -14.8 14.9 238 297 A K S < S- 0 0 131 -3,-0.7 -3,-0.0 1,-0.1 0, 0.0 -0.334 74.7-104.8 -53.3 126.4 38.2 -12.4 17.4 239 298 A E - 0 0 100 1,-0.1 -1,-0.1 4,-0.1 3,-0.1 -0.021 36.6-113.4 -49.9 159.7 41.9 -12.2 16.3 240 299 A K - 0 0 148 1,-0.2 3,-0.3 2,-0.1 2,-0.2 0.095 42.1 -74.6 -80.3-161.0 44.4 -14.1 18.5 241 300 A E S S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.594 111.2 43.8 -95.0 161.4 47.1 -12.5 20.6 242 301 A E S S+ 0 0 199 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.917 100.8 76.9 67.5 43.1 50.3 -11.0 19.1 243 302 A K + 0 0 111 -3,-0.3 -2,-0.1 3,-0.1 -4,-0.1 0.066 56.1 114.6-164.4 15.0 48.2 -9.3 16.5 244 303 A N S S- 0 0 68 2,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.992 84.2-105.1 -57.1 -71.8 46.8 -6.5 18.6 245 304 A K S S+ 0 0 86 1,-0.4 2,-0.3 32,-0.1 34,-0.2 0.031 81.4 43.8 171.1 -43.5 48.5 -3.5 16.8 246 305 A N S S- 0 0 31 32,-0.8 2,-1.5 2,-0.1 -1,-0.4 -0.811 77.2-106.1-127.3 167.4 51.5 -2.1 18.7 247 306 A S + 0 0 100 -2,-0.3 2,-0.5 -3,-0.1 31,-0.1 -0.443 58.2 152.6 -87.3 60.8 54.6 -3.0 20.7 248 307 A I - 0 0 36 -2,-1.5 -2,-0.1 30,-0.1 -3,-0.1 -0.817 39.4-131.3 -95.5 128.0 53.1 -2.1 24.1 249 308 A H > - 0 0 117 -2,-0.5 3,-0.9 1,-0.1 4,-0.3 -0.442 11.0-124.8 -79.3 151.5 54.6 -4.0 27.1 250 309 A P G > S+ 0 0 113 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.982 107.7 51.6 -54.9 -68.8 52.4 -5.7 29.8 251 310 A N G > S+ 0 0 117 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.564 88.9 85.4 -48.0 -12.5 53.9 -4.1 32.9 252 311 A D G < S+ 0 0 39 -3,-0.9 -1,-0.3 1,-0.3 4,-0.1 0.815 106.7 22.4 -62.6 -29.1 53.4 -0.7 31.2 253 312 A F G <> S+ 0 0 3 -3,-2.5 4,-2.4 -4,-0.3 5,-0.3 -0.086 81.6 136.8-129.1 33.3 49.8 -0.7 32.5 254 313 A Q H <> S+ 0 0 127 -3,-1.1 4,-0.8 2,-0.2 3,-0.2 0.915 80.5 35.7 -44.4 -59.5 50.1 -3.0 35.4 255 314 A I H >> S+ 0 0 67 -4,-0.2 3,-2.2 1,-0.2 4,-1.5 0.982 113.1 57.2 -61.5 -59.7 48.1 -0.9 37.8 256 315 A Y H 34 S+ 0 0 9 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.783 114.0 40.9 -42.0 -36.2 45.6 0.4 35.2 257 316 A N H 3< S+ 0 0 80 -4,-2.4 -1,-0.3 -3,-0.2 -2,-0.2 0.586 102.1 68.7 -92.3 -11.5 44.7 -3.2 34.4 258 317 A S H << S+ 0 0 50 -3,-2.2 -2,-0.2 -4,-0.8 -1,-0.2 0.853 78.6 100.1 -73.1 -32.9 44.7 -4.4 38.0 259 318 A L < - 0 0 6 -4,-1.5 -59,-0.2 1,-0.1 3,-0.2 -0.299 56.9-165.2 -58.2 128.1 41.6 -2.3 38.6 260 319 A K S S+ 0 0 110 -61,-3.4 2,-0.6 1,-0.3 -60,-0.2 0.956 78.0 27.9 -78.5 -56.9 38.4 -4.4 38.5 261 320 A Y E -j 200 0A 23 -62,-0.9 -60,-2.5 1,-0.0 2,-0.5 -0.935 60.1-179.8-114.5 114.5 35.8 -1.6 38.1 262 321 A K E +j 201 0A 49 -2,-0.6 -60,-0.1 -3,-0.2 5,-0.1 -0.580 29.8 139.4-110.2 66.7 36.9 1.6 36.4 263 322 A Y + 0 0 99 -62,-1.8 -59,-0.2 -2,-0.5 -61,-0.2 0.513 28.2 115.5 -87.9 -9.9 33.7 3.6 36.7 264 323 A H S > S- 0 0 2 -63,-0.6 3,-2.4 -61,-0.2 4,-0.2 -0.411 75.5-122.6 -60.6 135.7 35.1 7.0 37.6 265 324 A P T >> S+ 0 0 5 0, 0.0 3,-2.7 0, 0.0 4,-0.5 0.812 106.4 72.3 -51.8 -33.7 34.3 9.4 34.7 266 325 A E H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 3,-0.5 0.701 84.0 71.5 -58.0 -16.9 38.0 10.2 34.1 267 326 A Y H <> S+ 0 0 3 -3,-2.4 4,-2.8 1,-0.2 -1,-0.3 0.672 82.1 69.4 -73.8 -15.1 38.3 6.7 32.7 268 327 A Q H <> S+ 0 0 61 -3,-2.7 4,-0.6 -4,-0.2 -1,-0.2 0.914 109.8 35.4 -65.9 -38.8 36.3 7.8 29.6 269 328 A Y H >X S+ 0 0 0 -4,-0.5 4,-1.9 -3,-0.5 3,-1.2 0.966 119.6 48.0 -75.5 -56.7 39.3 9.8 28.7 270 329 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.853 108.4 55.0 -53.5 -40.5 42.0 7.4 30.0 271 330 A N H 3X S+ 0 0 61 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.775 106.9 51.9 -66.2 -25.8 40.3 4.4 28.2 272 331 A I H > - 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