==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REDUCTASE 03-DEC-04 2BF4 . COMPND 2 MOLECULE: NADPH-CYTOCHROME P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR L.M.PODUST,G.I.LEPESHEVA,Y.KIM,L.V.YERMALITSKAYA, . 1290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 895 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 7.7 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 101 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 355 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.3 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 12 1 7 0 2 4 3 1 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 3 0 5 3 6 1 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 5 1 5 1 2 2 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 . 3 3 5 1 3 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 47 A N 0 0 169 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.2 -12.3 46.3 154.9 2 48 A R + 0 0 110 52,-0.1 52,-3.9 51,-0.1 2,-1.4 0.201 360.0 106.1-147.7 -7.3 -12.0 48.8 152.0 3 49 A D B >> -a 54 0A 53 50,-0.2 4,-2.3 1,-0.2 3,-1.3 -0.672 58.8-161.1 -84.5 89.1 -12.7 51.8 154.2 4 50 A I H 3> S+ 0 0 0 -2,-1.4 4,-2.4 50,-1.0 5,-0.2 0.800 86.4 49.4 -39.8 -52.0 -9.2 53.2 154.4 5 51 A A H 3> S+ 0 0 8 49,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.849 115.1 47.8 -60.5 -33.6 -9.8 55.4 157.4 6 52 A Q H <> S+ 0 0 78 -3,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.859 109.9 49.9 -75.6 -40.2 -11.3 52.4 159.1 7 53 A V H X S+ 0 0 13 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.911 112.8 47.1 -66.8 -43.4 -8.6 50.0 158.2 8 54 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.7 -5,-0.2 3,-0.7 0.986 117.7 41.6 -59.0 -61.3 -5.9 52.3 159.5 9 55 A T H ><5S+ 0 0 62 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.901 111.1 54.0 -54.4 -52.9 -7.6 53.1 162.7 10 56 A E H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 114.4 42.7 -56.7 -28.2 -8.8 49.6 163.5 11 57 A N T <<5S- 0 0 38 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.209 110.7-122.2-103.9 14.7 -5.2 48.3 163.2 12 58 A N T < 5 + 0 0 118 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.893 43.7 178.7 46.0 56.9 -3.7 51.2 165.1 13 59 A K < - 0 0 8 -5,-1.7 32,-0.2 1,-0.1 -1,-0.2 -0.752 24.6-163.3 -93.0 134.3 -1.4 52.3 162.3 14 60 A N S S+ 0 0 65 30,-1.6 50,-0.6 -2,-0.4 2,-0.3 0.705 76.4 28.1 -84.0 -25.7 0.8 55.4 162.9 15 61 A Y E -bc 45 64B 0 29,-1.1 31,-1.9 48,-0.2 2,-0.5 -0.990 64.4-149.7-141.2 146.4 1.6 55.9 159.2 16 62 A L E -bc 46 65B 0 48,-2.2 50,-2.4 -2,-0.3 2,-0.5 -0.972 10.3-172.6-118.8 126.5 -0.1 55.3 155.9 17 63 A V E -bc 47 66B 0 29,-3.0 31,-2.3 -2,-0.5 2,-0.3 -0.943 9.9-175.7-120.3 111.1 1.9 54.6 152.7 18 64 A L E -bc 48 67B 1 48,-2.8 50,-2.1 -2,-0.5 2,-0.3 -0.700 2.7-171.3-103.3 156.8 -0.0 54.4 149.5 19 65 A Y E -bc 49 68B 22 29,-1.2 31,-1.6 -2,-0.3 2,-0.6 -0.984 18.6-161.7-151.8 138.7 1.2 53.6 146.0 20 66 A A E + c 0 69B 2 48,-2.9 50,-1.7 -2,-0.3 2,-0.5 -0.875 33.9 161.9-118.7 93.7 -0.3 53.6 142.5 21 67 A S - 0 0 24 -2,-0.6 -2,-0.0 1,-0.1 48,-0.0 -0.950 30.7-177.4-127.1 128.9 2.0 51.4 140.4 22 68 A Q S S+ 0 0 30 -2,-0.5 -1,-0.1 1,-0.1 50,-0.0 0.939 95.3 23.2 -81.5 -51.7 1.5 49.7 137.1 23 69 A T S S- 0 0 57 368,-0.1 -1,-0.1 370,-0.0 -2,-0.0 0.451 111.8-107.9 -95.6 -3.7 4.8 47.8 136.8 24 70 A G S > S+ 0 0 10 367,-0.0 4,-2.7 364,-0.0 5,-0.2 0.348 88.3 115.0 95.3 -8.3 5.5 47.7 140.5 25 71 A T H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.959 82.6 44.2 -59.4 -49.9 8.3 50.2 140.6 26 72 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 113.4 53.4 -60.3 -39.5 6.3 52.6 142.7 27 73 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 108.0 48.3 -62.3 -49.3 5.1 49.8 144.9 28 74 A D H X S+ 0 0 33 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.906 112.7 47.0 -60.6 -44.7 8.6 48.5 145.7 29 75 A Y H X S+ 0 0 21 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.915 108.8 56.4 -63.8 -38.3 10.0 51.9 146.6 30 76 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.923 108.8 47.4 -55.8 -45.0 6.9 52.4 148.7 31 77 A K H X S+ 0 0 44 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.905 107.9 54.6 -63.8 -42.7 7.9 49.2 150.5 32 78 A K H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.927 111.0 46.5 -56.4 -44.3 11.5 50.4 150.9 33 79 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.950 112.9 48.8 -61.6 -50.8 10.2 53.6 152.5 34 80 A S H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.931 111.2 49.5 -56.6 -51.0 7.8 51.7 154.8 35 81 A K H >X S+ 0 0 38 -4,-3.2 4,-2.8 1,-0.2 3,-0.9 0.958 113.3 45.5 -54.3 -55.1 10.5 49.2 155.9 36 82 A E H 3X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.3 5,-0.4 0.856 108.5 57.7 -57.5 -36.6 13.0 51.9 156.7 37 83 A L H 3X S+ 0 0 0 -4,-2.5 6,-1.2 -5,-0.2 4,-1.2 0.815 111.8 41.8 -64.4 -30.4 10.3 53.9 158.5 38 84 A V H -b 19 0B 28 -2,-0.4 3,-3.6 -31,-0.2 4,-0.2 -0.840 27.4-133.7 -90.5 110.9 -2.1 49.5 147.0 50 96 A V G > S+ 0 0 3 -31,-1.6 3,-0.9 -2,-0.9 -1,-0.1 0.681 102.3 65.6 -34.1 -28.5 -4.3 52.5 146.2 51 97 A E G 3 S+ 0 0 90 -32,-0.4 -1,-0.3 1,-0.2 -31,-0.1 0.724 91.8 60.3 -73.3 -22.5 -6.4 50.1 144.1 52 98 A N G < S+ 0 0 65 -3,-3.6 2,-0.3 2,-0.0 -1,-0.2 0.229 100.3 59.7 -92.4 15.0 -7.6 48.0 147.1 53 99 A Y S < S- 0 0 36 -3,-0.9 2,-0.6 -4,-0.2 -50,-0.2 -0.940 71.3-123.0-144.0 164.3 -9.4 50.7 149.0 54 100 A D B > -a 3 0A 53 -52,-3.9 -50,-1.0 -2,-0.3 3,-0.7 -0.927 19.3-161.5-106.0 113.2 -12.1 53.4 149.0 55 101 A F T 3 + 0 0 5 -2,-0.6 3,-0.4 1,-0.2 4,-0.1 -0.135 62.5 104.7 -90.8 41.3 -10.7 56.8 149.8 56 102 A E T > S+ 0 0 129 -2,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.878 85.0 47.2 -81.7 -38.9 -13.9 58.5 150.8 57 103 A S G X S+ 0 0 10 -3,-0.7 3,-1.7 1,-0.2 -1,-0.2 0.109 79.4 112.6 -87.0 19.8 -12.9 58.3 154.4 58 104 A L G > S+ 0 0 6 -3,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.828 70.3 59.2 -61.4 -35.6 -9.4 59.7 153.5 59 105 A N G < S+ 0 0 31 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.385 100.0 59.2 -76.5 5.2 -10.2 62.9 155.3 60 106 A D G < S+ 0 0 110 -3,-1.7 -1,-0.3 38,-0.0 -2,-0.2 0.315 72.3 120.8-112.7 4.7 -10.6 60.8 158.5 61 107 A V < - 0 0 7 -3,-1.5 -56,-0.1 1,-0.2 4,-0.1 -0.592 48.7-161.9 -73.3 113.2 -7.1 59.4 158.4 62 108 A P + 0 0 77 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.510 66.4 75.5 -74.1 -2.6 -5.6 60.4 161.7 63 109 A V S S- 0 0 13 1,-0.1 37,-0.4 -48,-0.0 -48,-0.2 -0.708 88.5-100.0-113.7 161.3 -2.1 59.7 160.3 64 110 A I E -c 15 0B 2 -50,-0.6 -48,-2.2 -2,-0.2 2,-0.4 -0.472 40.9-144.2 -72.9 148.2 0.3 61.3 157.9 65 111 A V E -cd 16 101B 1 35,-2.8 37,-1.7 -50,-0.2 2,-0.5 -0.950 11.9-158.2-122.4 138.6 0.3 59.8 154.4 66 112 A S E -cd 17 102B 0 -50,-2.4 -48,-2.8 -2,-0.4 2,-0.5 -0.947 14.6-158.0-111.4 130.0 3.1 59.1 151.8 67 113 A I E -cd 18 103B 6 35,-2.9 37,-2.6 -2,-0.5 2,-0.6 -0.939 9.7-171.1-116.0 122.9 1.9 58.8 148.2 68 114 A F E +cd 19 104B 0 -50,-2.1 -48,-2.9 -2,-0.5 2,-0.4 -0.929 18.6 174.6-111.9 109.9 4.0 57.0 145.6 69 115 A I E -cd 20 105B 0 35,-1.6 37,-3.4 -2,-0.6 2,-0.2 -0.918 18.4-152.7-123.5 142.8 2.5 57.5 142.1 70 116 A S E - d 0 106B 6 -50,-1.7 2,-0.5 -2,-0.4 37,-0.2 -0.672 17.4-126.5-104.7 163.1 3.7 56.5 138.6 71 117 A T + 0 0 26 35,-1.4 2,-0.3 -2,-0.2 6,-0.2 -0.944 33.7 161.5-116.8 128.4 2.9 58.2 135.3 72 118 A Y B > -G 76 0C 74 4,-2.9 4,-1.4 -2,-0.5 44,-0.0 -0.853 52.4 -1.2-135.5 172.1 1.4 56.4 132.3 73 119 A G T 4 S- 0 0 75 -2,-0.3 571,-0.0 2,-0.1 -2,-0.0 -0.234 127.8 -11.8 47.9-127.3 -0.4 57.2 129.1 74 120 A E T 4 S- 0 0 81 1,-0.1 2,-0.5 3,-0.1 43,-0.2 0.346 120.5 -51.7 -73.9-144.8 -0.8 61.0 129.2 75 121 A G T 4 S+ 0 0 1 41,-0.2 45,-0.3 -4,-0.1 2,-0.2 -0.110 108.2 126.0 -86.0 42.4 -0.0 62.6 132.5 76 122 A D B < -G 72 0C 44 -4,-1.4 -4,-2.9 -2,-0.5 41,-0.3 -0.678 63.1 -96.6-109.7 159.9 -2.4 60.1 134.0 77 123 A F - 0 0 10 -2,-0.2 -1,-0.1 -6,-0.2 -6,-0.1 0.035 52.3 -79.4 -61.3 164.2 -2.4 57.5 136.8 78 124 A P > - 0 0 1 0, 0.0 3,-1.1 0, 0.0 7,-0.2 -0.407 56.8 -93.0 -67.8 143.8 -1.8 53.7 136.4 79 125 A D T 3 S+ 0 0 79 1,-0.3 -58,-0.0 2,-0.2 0, 0.0 -0.325 118.2 33.5 -54.3 137.1 -4.7 51.7 135.1 80 126 A G T 3 S+ 0 0 31 -3,-0.1 -1,-0.3 -30,-0.0 -59,-0.1 0.695 105.4 74.2 86.3 18.8 -6.5 50.4 138.2 81 127 A A <> + 0 0 3 -3,-1.1 4,-2.5 -61,-0.1 -2,-0.2 0.060 63.8 100.5-142.1 10.8 -5.7 53.5 140.2 82 128 A V H > S+ 0 0 57 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.810 75.0 59.9 -71.7 -31.7 -8.3 55.6 138.3 83 129 A N H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.979 110.6 42.3 -57.8 -52.9 -10.8 55.2 141.2 84 130 A F H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.927 112.2 54.6 -56.3 -49.7 -8.1 56.9 143.4 85 131 A E H X S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.855 110.7 46.6 -54.1 -38.9 -7.4 59.4 140.6 86 132 A D H X S+ 0 0 68 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.863 104.7 56.6 -76.2 -36.7 -11.1 60.3 140.4 87 133 A F H X S+ 0 0 41 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.889 116.2 41.2 -58.3 -36.9 -11.7 60.7 144.2 88 134 A I H < S+ 0 0 2 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.919 112.0 51.1 -74.0 -52.6 -8.8 63.2 144.0 89 135 A C H < S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.523 121.3 37.9 -66.8 -4.5 -9.8 64.9 140.7 90 136 A N H < S+ 0 0 110 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.546 81.0 119.1-121.2 -16.7 -13.3 65.3 142.3 91 137 A A < - 0 0 21 -4,-1.0 3,-0.1 -3,-0.3 5,-0.1 -0.341 63.5-131.8 -53.9 127.3 -12.5 66.1 145.9 92 138 A E > - 0 0 152 1,-0.2 3,-1.5 36,-0.1 4,-0.3 -0.051 37.1 -67.2 -72.6 179.7 -14.0 69.5 146.4 93 139 A A T 3 S+ 0 0 84 1,-0.3 35,-0.3 2,-0.1 -1,-0.2 -0.429 124.2 10.8 -67.4 147.6 -12.2 72.5 148.0 94 140 A G T > S+ 0 0 43 33,-0.7 3,-0.8 32,-0.2 -1,-0.3 0.610 91.8 121.3 59.2 12.3 -11.5 71.8 151.7 95 141 A A T < S+ 0 0 33 -3,-1.5 -36,-0.2 1,-0.2 34,-0.2 0.677 83.5 31.0 -79.6 -16.7 -12.6 68.2 151.3 96 142 A L T > S+ 0 0 1 32,-3.2 3,-0.7 -4,-0.3 -1,-0.2 -0.267 75.4 135.4-132.1 44.1 -9.2 66.9 152.5 97 143 A S T < S+ 0 0 67 -3,-0.8 32,-0.1 1,-0.2 -2,-0.1 0.611 74.1 52.2 -70.7 -12.2 -8.3 69.7 154.9 98 144 A N T 3 S+ 0 0 95 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.2 0.624 86.3 109.7 -95.2 -19.3 -7.1 67.2 157.6 99 145 A L < - 0 0 6 -3,-0.7 32,-2.1 26,-0.1 2,-0.5 -0.416 43.9-175.2 -70.3 126.4 -4.8 65.3 155.2 100 146 A R E + e 0 131B 76 -37,-0.4 -35,-2.8 -2,-0.3 2,-0.3 -0.980 22.0 154.4-118.5 125.1 -1.1 65.7 155.6 101 147 A Y E -de 65 132B 0 30,-2.3 32,-3.0 -2,-0.5 2,-0.3 -0.963 35.4-154.6-150.5 167.6 1.1 64.0 153.0 102 148 A N E -d 66 0B 0 -37,-1.7 -35,-2.9 -2,-0.3 2,-0.4 -0.940 24.1-153.0-137.2 151.9 4.3 63.8 151.0 103 149 A M E -d 67 0B 1 32,-0.3 34,-2.4 -2,-0.3 2,-0.5 -0.992 15.7-163.1-140.5 143.2 4.6 62.3 147.5 104 150 A F E -df 68 137B 0 -37,-2.6 -35,-1.6 -2,-0.4 2,-0.5 -0.983 19.4-156.9-122.9 114.3 7.2 60.6 145.4 105 151 A G E -df 69 138B 0 32,-2.0 34,-2.6 -2,-0.5 2,-0.5 -0.824 1.8-153.9-100.8 129.5 6.4 60.6 141.7 106 152 A L E +df 70 139B 10 -37,-3.4 -35,-1.4 -2,-0.5 2,-0.2 -0.880 37.3 123.2-102.3 125.9 7.9 58.0 139.3 107 153 A G E - f 0 140B 13 32,-2.2 34,-2.6 -2,-0.5 2,-0.3 -0.721 51.5-110.0-152.4-157.7 8.2 59.0 135.7 108 154 A N > - 0 0 29 32,-0.2 3,-2.4 33,-0.2 7,-0.1 -0.816 10.6-146.9-158.6 111.1 10.5 59.4 132.7 109 155 A S T 3 S+ 0 0 50 1,-0.3 5,-0.1 -2,-0.3 4,-0.1 0.419 91.3 80.7 -60.1 1.7 11.5 62.8 131.2 110 156 A T T 3 S+ 0 0 27 2,-0.1 496,-0.4 495,-0.0 -1,-0.3 0.654 88.3 65.4 -82.2 -15.0 11.6 61.1 127.8 111 157 A Y S < S- 0 0 71 -3,-2.4 2,-0.2 494,-0.1 3,-0.2 -0.725 92.4-111.1-105.0 153.8 7.8 61.4 127.6 112 158 A E S S+ 0 0 71 -2,-0.3 3,-0.1 1,-0.2 4,-0.1 -0.618 107.8 42.4 -77.0 147.3 5.7 64.6 127.4 113 159 A F S > S- 0 0 86 -2,-0.2 3,-1.6 1,-0.2 2,-0.6 0.931 87.3-160.4 77.1 49.4 3.9 64.9 130.7 114 160 A F T 3 S- 0 0 40 1,-0.3 -1,-0.2 -3,-0.2 -5,-0.1 -0.544 73.6 -14.4 -67.7 110.7 6.9 63.9 132.6 115 161 A N T 3> S+ 0 0 0 -2,-0.6 4,-1.9 -7,-0.1 -1,-0.3 0.735 92.0 149.3 66.3 23.8 5.7 62.8 136.0 116 162 A G H <> + 0 0 8 -3,-1.6 4,-3.5 1,-0.2 5,-0.2 0.765 60.6 61.8 -60.3 -29.3 2.4 64.4 135.2 117 163 A A H > S+ 0 0 0 -4,-0.3 4,-3.1 -41,-0.3 5,-0.2 0.980 107.2 43.3 -62.3 -53.3 0.4 61.9 137.3 118 164 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 116.1 50.9 -56.7 -41.1 2.1 63.0 140.5 119 165 A K H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.932 110.6 45.9 -63.6 -49.4 1.8 66.6 139.4 120 166 A K H X S+ 0 0 60 -4,-3.5 4,-2.0 -45,-0.3 3,-0.3 0.944 114.3 50.2 -57.8 -47.5 -1.9 66.3 138.7 121 167 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.804 110.2 49.6 -60.7 -32.7 -2.4 64.5 142.0 122 168 A E H X S+ 0 0 40 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.787 110.0 51.6 -77.9 -28.6 -0.4 67.2 143.9 123 169 A K H X S+ 0 0 144 -4,-1.8 4,-0.8 -3,-0.3 -2,-0.2 0.858 113.7 41.8 -76.4 -36.9 -2.5 69.9 142.3 124 170 A H H X S+ 0 0 48 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.827 112.0 54.5 -80.3 -33.4 -5.9 68.4 143.2 125 171 A L H <>S+ 0 0 1 -4,-1.5 5,-2.7 -5,-0.2 -2,-0.2 0.893 110.6 45.3 -66.2 -41.4 -4.9 67.4 146.7 126 172 A S H ><5S+ 0 0 62 -4,-1.3 3,-1.3 3,-0.2 -1,-0.2 0.810 108.7 59.8 -70.9 -28.6 -3.8 70.9 147.6 127 173 A A H 3<5S+ 0 0 59 -4,-0.8 -33,-0.7 1,-0.3 -2,-0.2 0.872 102.6 50.3 -65.4 -37.9 -7.0 72.0 145.9 128 174 A A T 3<5S- 0 0 0 -4,-1.7 -32,-3.2 -35,-0.3 -1,-0.3 0.201 129.9 -97.9 -85.3 14.8 -9.0 70.0 148.5 129 175 A G T < 5S+ 0 0 31 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.683 70.4 153.7 80.9 19.4 -7.0 71.7 151.2 130 176 A A < - 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0 0 75 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 -0.714 59.9-166.5 -90.9 100.5 28.6 57.2 149.0 348 394 A K H > S+ 0 0 117 -2,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.874 86.3 38.8 -45.6 -51.9 26.4 57.7 145.9 349 395 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 112.2 52.3 -74.2 -44.5 29.3 57.8 143.5 350 396 A Q H > S+ 0 0 55 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.888 108.1 55.9 -60.0 -35.7 31.6 55.1 144.9 351 397 A F H X>S+ 0 0 3 -4,-2.3 4,-2.8 -7,-0.3 5,-1.3 0.917 107.7 47.2 -60.8 -44.3 28.5 52.8 144.8 352 398 A A H <>S+ 0 0 39 -4,-1.3 5,-3.3 -5,-0.2 6,-0.3 0.879 115.7 46.7 -64.3 -38.8 28.0 53.5 141.1 353 399 A V H <5S+ 0 0 95 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.949 121.3 33.5 -68.9 -52.4 31.7 52.8 140.5 354 400 A E H <5S+ 0 0 17 -4,-3.4 -2,-0.2 -5,-0.1 -3,-0.2 0.822 138.9 7.0 -76.9 -32.5 32.1 49.6 142.6 355 401 A I T ><>S+ 0 0 2 -4,-2.8 3,-1.4 -5,-0.4 5,-0.9 0.781 121.6 46.9-114.0 -68.7 28.6 48.2 141.9 356 402 A T G > - 0 0 18 -42,-0.1 4,-2.8 -2,-0.1 3,-0.3 -0.713 44.5 -93.1-109.5 165.4 22.8 41.5 140.5 362 408 A I H > S+ 0 0 12 -46,-0.7 4,-2.6 -2,-0.3 5,-0.3 0.943 130.7 53.7 -44.2 -53.8 22.4 41.2 144.3 363 409 A A H > S+ 0 0 7 -47,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.880 112.9 42.9 -45.1 -50.3 24.4 37.9 144.1 364 410 A D H > S+ 0 0 40 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.955 111.8 51.1 -65.7 -53.9 27.2 39.7 142.3 365 411 A A H >X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.6 0.962 116.4 41.9 -47.2 -62.6 27.3 42.8 144.4 366 412 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.874 113.9 50.2 -53.7 -45.9 27.5 40.8 147.7 367 413 A K H 3X>S+ 0 0 127 -4,-2.3 4,-1.2 -5,-0.3 5,-0.8 0.802 109.5 55.1 -65.0 -27.3 29.9 38.2 146.3 368 414 A Y H <<5S+ 0 0 77 -4,-2.5 -2,-0.2 -3,-0.6 -1,-0.2 0.923 112.3 40.7 -69.9 -45.3 32.0 41.2 145.2 369 415 A L H <5S+ 0 0 11 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.851 119.8 43.4 -71.5 -37.6 32.1 42.7 148.7 370 416 A S H ><5S- 0 0 7 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 0.631 97.1-133.3 -83.4 -16.6 32.6 39.3 150.6 371 417 A D T 3<5S- 0 0 152 -4,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.826 82.2 -41.2 64.2 31.3 35.2 38.0 148.2 372 418 A G T 3 + 0 0 1 -97,-3.4 3,-1.6 1,-0.1 -1,-0.1 -0.451 45.1 156.3-102.2 57.0 26.2 35.9 153.7 376 422 A D T 3 + 0 0 58 -2,-0.5 -1,-0.1 1,-0.3 -97,-0.1 0.166 59.9 64.2 -72.8 17.1 24.7 33.0 155.7 377 423 A T T 3 S+ 0 0 43 -46,-0.3 -1,-0.3 2,-0.1 -45,-0.1 0.368 72.9 110.7-117.1 -1.5 23.1 35.2 158.4 378 424 A V < - 0 0 13 -3,-1.6 2,-0.2 -99,-0.2 -50,-0.0 -0.636 68.8-129.9 -77.2 125.4 20.7 36.9 156.1 379 425 A P > - 0 0 35 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.548 7.3-131.6 -77.9 138.0 17.1 35.7 156.8 380 426 A M H > S+ 0 0 6 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.814 110.8 58.9 -57.3 -29.8 14.9 34.4 154.0 381 427 A Q H > S+ 0 0 46 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.928 105.3 47.7 -62.3 -48.8 12.2 36.7 155.5 382 428 A F H > S+ 0 0 2 -3,-0.3 4,-1.6 1,-0.2 5,-0.2 0.943 112.7 49.2 -57.0 -50.2 14.5 39.7 155.0 383 429 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.854 113.4 47.0 -59.0 -36.0 15.2 38.5 151.4 384 430 A V H < S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.930 118.1 39.9 -72.8 -45.2 11.5 38.1 150.8 385 431 A E H < S+ 0 0 18 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.582 125.1 39.9 -79.6 -8.0 10.6 41.5 152.3 386 432 A S H < S+ 0 0 23 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.634 96.9 75.5-115.9 -20.1 13.7 43.2 150.7 387 433 A V S < S- 0 0 4 -4,-2.0 -71,-0.1 -5,-0.2 -1,-0.0 -0.833 90.5-103.9 -96.8 132.8 14.1 41.8 147.2 388 434 A P - 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0 0 61 -4,-2.7 4,-1.4 1,-0.2 5,-0.2 -0.623 60.7-164.7 -81.3 108.6 5.1 54.0 214.6 994 394 B K H > S+ 0 0 111 -2,-0.9 4,-1.4 2,-0.2 3,-0.2 0.953 84.9 39.5 -49.4 -62.7 4.9 51.8 211.5 995 395 B D H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.930 112.1 50.4 -60.8 -55.4 4.3 54.7 209.0 996 396 B Q H > S+ 0 0 69 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.798 107.9 59.0 -58.1 -23.7 6.6 57.4 210.3 997 397 B F H X>S+ 0 0 4 -4,-1.4 4,-2.1 -7,-0.2 5,-1.6 0.924 106.7 45.8 -66.9 -45.5 9.3 54.7 210.3 998 398 B A H <>S+ 0 0 35 -4,-1.4 5,-3.5 -3,-0.5 6,-0.4 0.955 116.4 46.8 -60.1 -51.2 8.7 54.2 206.5 999 399 B V H <5S+ 0 0 93 -4,-2.5 5,-0.4 1,-0.2 -2,-0.2 0.981 121.0 32.8 -54.7 -68.3 8.8 58.0 206.0 1000 400 B E H <5S+ 0 0 42 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.717 140.0 8.3 -66.6 -22.6 11.9 58.9 208.0 1001 401 B I T <>S+ 0 0 1 -4,-2.1 5,-1.4 -5,-0.3 -3,-0.2 0.734 122.3 45.3-124.8 -60.1 13.8 55.7 207.3 1002 402 B T T > > - 0 0 24 -42,-0.1 4,-2.1 -2,-0.1 3,-1.7 -0.716 43.8 -92.1-103.3 158.1 21.4 51.2 205.6 1008 408 B I H 3> S+ 0 0 9 -46,-0.6 4,-2.0 -44,-0.3 5,-0.3 0.882 132.2 53.2 -35.8 -50.4 21.9 50.7 209.4 1009 409 B A H 3> S+ 0 0 5 -47,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.852 113.3 43.0 -55.6 -38.7 24.7 53.2 209.1 1010 410 B D H <> S+ 0 0 40 -3,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.970 110.1 51.6 -74.8 -56.5 22.4 55.8 207.5 1011 411 B A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.828 116.3 43.4 -50.2 -36.6 19.3 55.4 209.6 1012 412 B L H X S+ 0 0 1 -4,-2.0 4,-3.4 -5,-0.4 -1,-0.2 0.915 112.4 49.1 -77.1 -47.1 21.4 55.9 212.7 1013 413 B K H X>S+ 0 0 66 -4,-1.7 5,-1.2 -5,-0.3 4,-1.0 0.907 110.2 56.5 -57.9 -39.1 23.5 58.7 211.5 1014 414 B Y H ><5S+ 0 0 76 -4,-3.2 3,-1.0 2,-0.2 -2,-0.2 0.972 112.8 38.2 -54.4 -59.7 20.2 60.2 210.5 1015 415 B L H 3<5S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.924 120.6 44.5 -59.5 -49.2 18.8 60.0 214.0 1016 416 B S H ><5S- 0 0 7 -4,-3.4 3,-2.3 -5,-0.1 -1,-0.2 0.422 97.6-133.7 -79.2 2.2 22.0 61.0 215.8 1017 417 B D T <<5S- 0 0 144 -4,-1.0 -3,-0.2 -3,-1.0 -4,-0.1 0.865 81.6 -42.5 45.7 39.4 22.8 63.8 213.4 1018 418 B G T 3 + 0 0 0 -97,-3.3 3,-0.9 2,-0.1 -96,-0.1 -0.123 46.7 155.7 -83.9 39.9 26.6 55.3 218.6 1022 422 B D T 3 + 0 0 70 -2,-0.7 -96,-0.1 1,-0.2 -95,-0.1 -0.504 58.0 60.0 -61.7 140.5 29.7 54.3 220.5 1023 423 B T T 3 S+ 0 0 93 1,-0.3 -1,-0.2 -98,-0.2 -97,-0.1 0.349 74.3 114.7 110.1 4.6 28.3 52.2 223.4 1024 424 B V < - 0 0 6 -3,-0.9 -1,-0.3 -99,-0.3 5,-0.0 -0.931 69.0-127.8-107.0 109.1 26.7 49.7 221.0 1025 425 B P > - 0 0 40 0, 0.0 4,-1.9 0, 0.0 3,-0.1 -0.188 4.6-132.3 -56.7 143.0 28.5 46.3 221.6 1026 426 B M H > S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.910 110.5 57.5 -62.3 -41.0 30.0 44.4 218.7 1027 427 B Q H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.850 105.8 48.7 -57.6 -37.7 28.3 41.3 220.1 1028 428 B F H > S+ 0 0 5 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.878 112.8 48.4 -69.0 -37.6 25.0 43.1 219.9 1029 429 B L H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.908 112.9 47.7 -67.8 -41.1 25.9 44.0 216.3 1030 430 B V H < S+ 0 0 3 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.2 41.7 -66.5 -42.7 26.9 40.5 215.5 1031 431 B E H < S+ 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.580 124.6 37.8 -80.7 -9.9 23.8 39.0 217.0 1032 432 B S H < S+ 0 0 22 -4,-0.9 -2,-0.2 -3,-0.2 -3,-0.2 0.760 96.8 76.3-112.0 -34.3 21.5 41.7 215.5 1033 433 B V S < S- 0 0 3 -4,-3.0 -71,-0.1 -5,-0.2 3,-0.1 -0.681 90.8-105.0 -82.8 129.8 22.8 42.5 212.0 1034 434 B P - 0 0 37 0, 0.0 -73,-3.0 0, 0.0 2,-0.4 -0.039 35.5-104.3 -50.0 152.1 21.9 39.8 209.5 1035 435 B Q B -R 960 0T 63 -75,-0.2 -75,-0.3 -365,-0.1 -361,-0.1 -0.692 37.8-109.8 -83.0 129.3 24.5 37.5 208.2 1036 436 B M - 0 0 21 -77,-2.5 -1,-0.1 -2,-0.4 -75,-0.1 -0.211 43.4-157.4 -54.0 150.2 25.8 38.2 204.7 1037 437 B T - 0 0 36 -128,-0.1 2,-0.1 -77,-0.1 -1,-0.1 -0.957 19.0 -99.3-139.0 152.4 24.6 35.6 202.3 1038 438 B P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 -128,-0.2 -0.419 33.1-139.5 -67.2 142.1 25.5 34.1 198.9 1039 439 B R E -M 909 0R 68 -130,-1.8 -130,-2.5 -2,-0.1 2,-0.3 -0.856 19.3-132.8-101.4 139.2 23.5 35.4 196.0 1040 440 B Y E -M 908 0R 62 -2,-0.4 2,-0.4 -132,-0.2 -132,-0.2 -0.678 19.2-167.2 -96.9 148.9 22.5 32.7 193.5 1041 441 B Y E -M 907 0R 33 -134,-1.7 -134,-2.2 -2,-0.3 2,-0.3 -0.995 27.5-117.9-138.0 132.8 22.8 33.0 189.7 1042 442 B S E -M 906 0R 15 -2,-0.4 15,-0.7 -136,-0.2 2,-0.3 -0.506 41.5-119.8 -63.5 124.5 21.4 30.9 186.9 1043 443 B I B -Q 1056 0S 2 -138,-2.0 -139,-0.3 -2,-0.3 107,-0.3 -0.532 23.4-163.7 -70.6 132.1 24.5 29.4 185.2 1044 444 B S + 0 0 0 11,-3.7 2,-0.2 -2,-0.3 12,-0.1 0.111 59.2 84.3-104.7 19.5 24.6 30.6 181.5 1045 445 B S S S- 0 0 0 10,-0.4 2,-0.6 104,-0.1 -141,-0.3 -0.700 77.4-114.2-115.1 170.3 27.1 28.1 180.2 1046 446 B S >> - 0 0 0 -2,-0.2 4,-3.3 1,-0.1 3,-0.8 -0.928 8.4-153.0-110.5 121.4 26.8 24.5 179.0 1047 447 B S T 34 S+ 0 0 21 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.790 100.2 56.6 -58.2 -29.0 28.4 21.7 181.1 1048 448 B L T 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 106,-0.0 0.820 120.2 29.5 -72.4 -31.0 28.7 19.7 177.9 1049 449 B S T <4 S+ 0 0 49 -3,-0.8 -2,-0.2 101,-0.1 -1,-0.2 0.638 137.3 25.6-101.5 -21.1 30.7 22.5 176.2 1050 450 B E < + 0 0 35 -4,-3.3 2,-3.9 1,-0.1 -3,-0.2 0.795 67.0 164.4-108.8 -48.8 32.3 24.0 179.3 1051 451 B K S S+ 0 0 155 -5,-0.5 -150,-0.5 1,-0.3 -4,-0.1 -0.219 84.1 31.2 61.5 -58.8 32.5 21.2 181.9 1052 452 B Q S S+ 0 0 91 -2,-3.9 -158,-3.5 -152,-0.1 -157,-0.4 0.302 111.1 73.3-112.0 11.0 35.1 23.0 184.0 1053 453 B T E -P 893 0S 40 -160,-0.2 2,-0.5 -159,-0.2 -160,-0.2 -0.985 61.1-156.4-129.4 132.8 34.0 26.6 183.4 1054 454 B V E -P 892 0S 0 -162,-2.6 -162,-3.0 -2,-0.4 2,-0.5 -0.919 6.0-151.6-113.5 127.4 30.9 28.4 184.7 1055 455 B H E -P 891 0S 3 -2,-0.5 -11,-3.7 -164,-0.2 2,-0.5 -0.829 10.1-166.7 -98.9 126.8 29.3 31.4 183.0 1056 456 B V E -PQ 8901043S 0 -166,-3.1 -166,-2.7 -2,-0.5 2,-0.7 -0.949 9.1-163.6-118.0 128.3 27.3 34.0 185.1 1057 457 B T E +P 889 0S 8 -15,-0.7 2,-0.7 -2,-0.5 -168,-0.2 -0.790 19.9 172.5-110.4 88.9 25.0 36.7 183.6 1058 458 B S E -P 888 0S 2 -170,-1.9 -170,-2.3 -2,-0.7 2,-0.4 -0.822 24.7-148.4-108.6 105.0 24.4 39.3 186.4 1059 459 B I E -P 887 0S 39 -2,-0.7 -172,-0.3 -172,-0.3 20,-0.1 -0.517 33.7-114.7 -68.8 119.5 22.6 42.5 185.6 1060 460 B V - 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