==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-FEB-03 1ONF . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR G.N.SARMA,S.N.SAVVIDES,K.BECKER,M.SCHIRMER,R.H.SCHIRMER,P.A. . 439 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 1 0 0 0 1 1 2 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 3 1 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 PARALLEL BRIDGES PER LADDER . 5 0 2 0 2 0 1 1 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 . 0 1 1 1 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 1 A V 0 0 152 0, 0.0 2,-0.3 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0 131.1 87.8 90.1 85.2 2 2 A Y B -a 116 0A 34 113,-2.4 115,-2.6 1,-0.1 3,-0.2 -0.717 360.0-141.3 -97.8 149.2 87.3 86.3 85.9 3 3 A D S S- 0 0 57 23,-1.6 2,-0.3 1,-0.3 115,-0.2 0.770 94.5 -0.1 -70.1 -27.1 90.0 83.7 86.4 4 4 A L E -b 27 0B 8 22,-1.3 24,-1.9 113,-0.2 2,-0.5 -0.916 63.5-154.5-164.2 129.3 87.9 81.3 84.4 5 5 A I E -bc 28 119B 22 113,-1.5 115,-2.7 -2,-0.3 2,-0.5 -0.964 16.8-146.5-112.1 125.9 84.6 81.6 82.6 6 6 A V E -bc 29 120B 0 22,-4.5 24,-2.1 -2,-0.5 2,-0.7 -0.820 6.8-163.3 -92.7 123.1 82.6 78.3 82.1 7 7 A I E +bc 30 121B 14 113,-2.9 115,-2.9 -2,-0.5 24,-0.1 -0.930 68.6 36.4-106.7 109.8 80.5 78.0 79.0 8 8 A G - 0 0 7 22,-1.3 23,-0.1 -2,-0.7 5,-0.1 0.447 58.8-153.2 113.7 109.0 78.1 75.1 79.5 9 9 A G + 0 0 0 4,-0.2 27,-2.2 21,-0.1 28,-0.2 -0.043 62.9 108.8 -99.8 31.2 76.4 74.3 82.8 10 10 A G S > S- 0 0 16 112,-0.5 4,-1.5 26,-0.2 5,-0.2 0.166 95.6 -56.4 -82.8-148.7 76.0 70.6 82.0 11 11 A S H > S+ 0 0 30 25,-0.2 4,-1.5 2,-0.2 5,-0.2 0.907 134.5 39.2 -58.6 -51.4 78.0 67.9 83.6 12 12 A G H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.951 114.0 47.3 -72.1 -57.2 81.4 69.2 82.8 13 13 A G H > S+ 0 0 0 1,-0.2 4,-3.6 109,-0.2 5,-0.2 0.920 112.7 51.9 -51.6 -44.6 81.1 73.0 83.2 14 14 A M H X S+ 0 0 19 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.958 113.4 40.9 -61.4 -49.2 79.4 72.6 86.6 15 15 A A H X S+ 0 0 10 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.972 118.6 48.3 -61.6 -53.4 82.0 70.3 88.1 16 16 A A H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 5,-0.4 0.955 113.0 49.0 -46.4 -61.0 84.8 72.3 86.5 17 17 A A H X S+ 0 0 0 -4,-3.6 4,-1.0 -5,-0.3 -1,-0.2 0.835 114.3 42.8 -50.2 -44.1 83.2 75.5 87.8 18 18 A R H X S+ 0 0 82 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.911 112.6 53.3 -76.6 -36.0 82.7 74.4 91.3 19 19 A R H X S+ 0 0 54 -4,-3.1 4,-0.9 2,-0.3 3,-0.2 0.935 111.8 43.3 -61.1 -51.9 86.1 72.7 91.6 20 20 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.3 3,-0.7 0.854 109.2 61.6 -60.3 -33.1 88.1 75.8 90.5 21 21 A A H ><5S+ 0 0 11 -4,-1.0 3,-1.8 -5,-0.4 -2,-0.3 0.936 99.5 54.5 -56.6 -41.6 85.7 77.5 92.8 22 22 A R H 3<5S+ 0 0 181 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.707 103.3 55.0 -65.5 -25.5 87.2 75.3 95.6 23 23 A H T <<5S- 0 0 40 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.161 124.5-100.8 -96.1 15.1 90.6 76.6 94.8 24 24 A N T < 5 + 0 0 154 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.715 66.8 156.9 75.9 22.9 89.6 80.2 95.2 25 25 A A < - 0 0 9 -5,-2.3 2,-1.3 -6,-0.1 -1,-0.2 -0.568 52.1-118.0 -79.7 139.8 89.2 81.1 91.5 26 26 A K - 0 0 86 -2,-0.2 -23,-1.6 77,-0.1 -22,-1.3 -0.649 50.7-168.0 -70.4 101.6 87.0 84.0 90.6 27 27 A V E -b 4 0B 1 -2,-1.3 77,-2.6 75,-0.3 2,-0.4 -0.768 22.6-176.8-107.4 145.3 84.6 81.8 88.6 28 28 A A E -bd 5 104B 2 -24,-1.9 -22,-4.5 -2,-0.4 2,-0.4 -0.993 0.6-176.6-132.4 136.6 81.8 82.5 86.2 29 29 A L E -bd 6 105B 0 75,-0.8 77,-2.4 -2,-0.4 2,-0.4 -0.994 6.9-162.9-133.2 133.1 79.4 80.1 84.4 30 30 A V E -bd 7 106B 30 -24,-2.1 -22,-1.3 -2,-0.4 2,-0.4 -0.967 9.6-178.4-120.5 132.2 76.7 81.1 81.8 31 31 A E E - d 0 107B 23 75,-2.7 77,-2.3 -2,-0.4 4,-0.1 -0.943 21.1-166.7-130.1 148.7 73.8 78.9 80.8 32 32 A K S S+ 0 0 94 -2,-0.4 -1,-0.1 75,-0.3 77,-0.1 0.880 75.7 26.5-101.8 -50.2 71.1 79.2 78.4 33 33 A S S S- 0 0 78 1,-0.2 75,-0.1 75,-0.1 4,-0.1 -0.214 112.2 -42.7 -95.6-161.4 68.5 76.4 79.2 34 34 A R S > S- 0 0 147 1,-0.1 3,-0.7 2,-0.1 -1,-0.2 -0.268 70.9-100.1 -61.5 146.6 68.0 74.6 82.5 35 35 A L T 3 S+ 0 0 7 1,-0.2 -25,-0.2 56,-0.1 -1,-0.1 -0.263 101.8 45.5 -64.9 150.8 71.1 73.7 84.6 36 36 A G T 3> S- 0 0 2 -27,-2.2 4,-1.8 -26,-0.1 -25,-0.2 0.373 89.7-154.7 96.2 -2.2 72.5 70.2 84.6 37 37 A G H <>> - 0 0 17 -3,-0.7 4,-2.9 -27,-0.2 5,-0.5 0.178 53.6 -7.0 40.1-140.6 72.2 70.0 80.8 38 38 A T H >>S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 5,-1.2 0.934 132.2 49.2 -53.1 -59.9 71.8 66.7 78.8 39 39 A a H 45S+ 0 0 15 3,-0.2 6,-3.0 4,-0.2 -1,-0.2 0.842 121.0 35.3 -50.7 -40.1 72.4 64.1 81.7 40 40 A V H <5S+ 0 0 12 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.939 127.5 29.0 -86.9 -47.2 69.9 65.8 84.0 41 41 A N H <5S+ 0 0 28 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.745 140.4 4.3 -91.8 -24.3 67.1 67.1 81.8 42 42 A V T < S+ 0 0 51 3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.715 121.4 54.2 -24.7 -56.0 70.8 59.7 82.3 45 45 A V H > S+ 0 0 37 -6,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.986 117.5 28.9 -60.1 -67.2 68.4 61.0 85.0 46 46 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.928 119.7 57.5 -57.6 -44.2 65.0 60.6 83.4 47 47 A K H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.964 109.0 45.9 -53.2 -49.5 66.2 57.6 81.3 48 48 A K H X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.831 109.4 54.3 -62.2 -35.7 67.1 55.9 84.6 49 49 A I H X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.867 109.4 47.9 -62.4 -38.8 63.8 56.8 86.2 50 50 A M H X S+ 0 0 5 -4,-2.5 4,-2.3 -3,-0.4 -2,-0.2 0.794 107.7 55.7 -72.6 -33.9 62.0 55.2 83.3 51 51 A F H X S+ 0 0 9 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.943 109.4 46.9 -62.1 -44.4 64.2 52.1 83.6 52 52 A N H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.912 109.5 55.4 -62.7 -38.7 63.1 51.8 87.2 53 53 A A H X S+ 0 0 20 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.930 107.1 47.5 -56.5 -48.8 59.6 52.3 86.1 54 54 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.820 108.9 57.0 -68.3 -26.0 59.8 49.4 83.7 55 55 A S H X S+ 0 0 37 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.841 104.7 50.3 -70.7 -30.8 61.3 47.4 86.5 56 56 A V H X S+ 0 0 86 -4,-1.8 4,-3.4 -3,-0.4 5,-0.3 0.964 106.6 55.4 -73.1 -43.9 58.3 48.0 88.7 57 57 A H H X S+ 0 0 39 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.895 109.5 46.2 -50.8 -48.8 55.9 46.9 85.9 58 58 A D H X S+ 0 0 43 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.962 111.9 50.9 -62.5 -45.2 57.7 43.6 85.6 59 59 A I H >X S+ 0 0 84 -4,-2.0 4,-0.8 1,-0.2 3,-0.6 0.939 114.1 45.2 -58.0 -42.4 57.8 43.1 89.4 60 60 A L H >< S+ 0 0 64 -4,-3.4 3,-0.6 1,-0.2 -1,-0.2 0.907 109.1 54.7 -66.0 -40.4 54.0 43.9 89.5 61 61 A E H 3< S+ 0 0 97 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.750 119.6 34.1 -64.5 -16.7 53.3 41.6 86.5 62 62 A N H X< S+ 0 0 39 -4,-1.5 3,-1.9 -3,-0.6 -1,-0.2 0.386 78.2 107.8-122.5 4.8 55.0 38.7 88.4 63 63 A S G X<> + 0 0 13 -4,-0.8 5,-1.9 -3,-0.6 3,-1.5 0.619 65.7 78.4 -61.9 -16.9 54.3 39.2 92.1 64 64 A R G > 5S+ 0 0 154 1,-0.3 3,-1.3 -4,-0.2 -1,-0.3 0.779 84.8 59.8 -64.3 -27.5 52.0 36.2 92.1 65 65 A H G < 5S+ 0 0 36 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.345 104.9 53.0 -78.3 0.3 54.9 33.7 92.1 66 66 A Y G < 5S- 0 0 93 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.190 131.0 -89.9-119.8 8.8 55.9 35.4 95.4 67 67 A G T < 5S+ 0 0 68 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.274 83.7 130.1 103.4 -4.4 52.5 35.0 97.1 68 68 A F < - 0 0 124 -5,-1.9 2,-0.6 -6,-0.1 -1,-0.3 -0.524 50.5-145.7 -92.5 149.2 50.8 38.2 96.1 69 69 A D + 0 0 167 -2,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.965 34.7 179.5-108.1 111.0 47.4 38.8 94.5 70 70 A T + 0 0 64 -2,-0.6 2,-0.4 -10,-0.1 -6,-0.1 -0.964 25.6 167.7-132.3 136.0 47.9 41.8 92.2 71 71 A K + 0 0 213 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.995 25.6 158.5-144.2 119.0 45.8 43.8 89.9 72 72 A F - 0 0 65 -2,-0.4 2,-0.4 -12,-0.0 -2,-0.0 -0.992 28.0-152.7-147.8 149.1 47.2 47.0 88.6 73 73 A S - 0 0 116 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.904 15.3-138.5-124.2 162.3 47.1 49.5 86.0 74 74 A F - 0 0 81 -2,-0.4 2,-0.4 98,-0.0 98,-0.0 -0.898 10.6-169.4-117.1 144.5 49.7 51.8 84.6 75 75 A N >> - 0 0 93 -2,-0.4 4,-1.2 1,-0.1 3,-1.0 -0.886 5.8-164.2-136.8 101.7 49.2 55.4 83.7 76 76 A L H 3> S+ 0 0 23 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.855 84.7 64.4 -60.4 -42.0 52.1 57.0 81.8 77 77 A P H 3> S+ 0 0 59 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.820 104.4 50.7 -50.4 -33.2 51.1 60.7 82.3 78 78 A L H <> S+ 0 0 93 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.916 106.1 49.9 -70.0 -50.5 51.6 60.1 86.1 79 79 A L H X S+ 0 0 29 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.933 111.5 56.7 -50.6 -37.7 55.0 58.6 85.7 80 80 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.949 109.3 40.1 -63.2 -53.1 55.5 61.8 83.6 81 81 A E H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.891 115.6 51.0 -64.4 -38.7 54.6 64.3 86.2 82 82 A R H X S+ 0 0 142 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.993 113.3 46.4 -57.5 -51.3 56.4 62.5 89.0 83 83 A R H X S+ 0 0 8 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.834 115.8 42.5 -64.7 -39.2 59.5 62.3 86.9 84 84 A D H X S+ 0 0 68 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.802 108.7 60.9 -74.8 -30.6 59.5 66.0 85.8 85 85 A K H X S+ 0 0 112 -4,-2.5 4,-1.5 -5,-0.3 3,-0.2 0.968 107.2 46.7 -57.7 -45.2 58.6 67.0 89.2 86 86 A Y H >X S+ 0 0 101 -4,-2.6 4,-1.2 -5,-0.2 3,-0.9 0.970 109.1 52.0 -60.5 -53.2 61.8 65.5 90.2 87 87 A I H 3X S+ 0 0 10 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.792 103.2 58.8 -54.9 -31.7 63.8 67.1 87.4 88 88 A Q H 3X S+ 0 0 134 -4,-2.1 4,-1.3 -3,-0.2 -1,-0.3 0.904 102.9 53.9 -66.5 -40.1 62.6 70.5 88.4 89 89 A R H X S+ 0 0 42 -4,-1.9 4,-2.9 1,-0.2 3,-0.6 0.947 108.4 51.8 -61.4 -48.2 69.6 72.5 93.7 94 94 A Y H 3X S+ 0 0 40 -4,-3.4 4,-1.3 1,-0.3 -1,-0.2 0.881 109.9 49.1 -57.9 -36.7 72.3 73.0 91.0 95 95 A R H 3< S+ 0 0 104 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.3 0.740 110.8 52.3 -75.5 -21.7 71.6 76.8 91.2 96 96 A Q H XX S+ 0 0 105 -4,-1.4 4,-1.8 -3,-0.6 3,-1.4 0.901 107.4 49.3 -76.0 -44.5 71.9 76.5 94.9 97 97 A N H 3X S+ 0 0 26 -4,-2.9 4,-1.4 1,-0.3 -2,-0.2 0.833 104.4 63.8 -63.1 -28.0 75.2 74.7 94.8 98 98 A L H 3<>S+ 0 0 0 -4,-1.3 5,-1.0 -5,-0.3 -1,-0.3 0.655 108.2 37.4 -74.4 -14.9 76.3 77.4 92.5 99 99 A S H X45S+ 0 0 86 -3,-1.4 3,-0.6 -4,-0.3 -1,-0.2 0.648 106.9 67.2-101.8 -25.6 75.9 80.2 95.1 100 100 A K H 3<5S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.842 108.5 38.5 -59.1 -37.1 77.2 77.9 97.9 101 101 A D T 3<5S- 0 0 54 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.367 115.7-108.7-103.5 6.3 80.7 77.9 96.2 102 102 A K T < 5 + 0 0 169 -3,-0.6 2,-0.4 1,-0.3 -75,-0.3 0.643 63.2 148.6 81.3 16.8 80.8 81.6 95.1 103 103 A V < - 0 0 5 -5,-1.0 2,-1.1 -6,-0.2 -1,-0.3 -0.696 46.6-131.2 -84.3 136.1 80.5 81.1 91.2 104 104 A D E -d 28 0B 61 -77,-2.6 -75,-0.8 -2,-0.4 -5,-0.1 -0.714 26.8-155.7 -88.6 91.3 78.7 84.0 89.4 105 105 A L E -d 29 0B 42 -2,-1.1 2,-0.4 -77,-0.2 -75,-0.2 -0.340 10.8-170.4 -71.8 148.1 76.1 82.3 87.2 106 106 A Y E -d 30 0B 112 -77,-2.4 -75,-2.7 2,-0.1 2,-0.6 -0.988 13.2-145.6-140.6 127.6 74.7 84.0 84.1 107 107 A E E +d 31 0B 110 -2,-0.4 -75,-0.3 -77,-0.3 2,-0.2 -0.834 55.6 80.9 -99.2 124.3 71.8 82.8 82.0 108 108 A G S S- 0 0 30 -77,-2.3 2,-0.2 -2,-0.6 -75,-0.1 -0.840 83.7 -68.4 162.1 165.7 72.1 83.4 78.3 109 109 A T - 0 0 109 -2,-0.2 2,-0.3 -77,-0.1 -78,-0.1 -0.587 51.7-131.5 -75.8 141.1 73.7 82.1 75.2 110 110 A A + 0 0 20 -2,-0.2 2,-0.3 -80,-0.1 -103,-0.0 -0.722 29.3 173.6 -94.4 146.5 77.5 82.4 75.3 111 111 A S - 0 0 75 -2,-0.3 144,-0.2 144,-0.0 2,-0.1 -0.983 26.8-122.9-151.4 138.8 79.4 83.8 72.3 112 112 A F 0 0 20 142,-2.0 144,-0.0 -2,-0.3 0, 0.0 -0.459 360.0 360.0 -80.1 160.1 83.0 84.8 71.7 113 113 A L 0 0 217 -2,-0.1 142,-0.1 143,-0.0 143,-0.1 -0.655 360.0 360.0-122.2 360.0 84.1 88.2 70.7 114 ! 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 0.0 115 140 A E 0 0 91 0, 0.0 -113,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 99.0 85.7 89.0 80.5 116 141 A G B -a 2 0A 24 -115,-0.2 -113,-0.2 1,-0.1 3,-0.2 -0.961 360.0-140.5-142.4 159.2 87.8 86.1 81.7 117 142 A R S S+ 0 0 179 -115,-2.6 2,-0.4 -2,-0.3 -113,-0.2 0.785 97.5 22.8 -85.6 -36.1 91.4 84.9 81.9 118 143 A N S S- 0 0 27 -115,-0.2 -113,-1.5 -116,-0.2 2,-0.5 -0.945 75.5-159.9-136.4 112.9 90.7 81.2 81.0 119 144 A I E -ce 5 281B 29 161,-0.7 163,-2.3 -2,-0.4 2,-0.6 -0.820 3.3-155.6-105.4 125.4 87.6 80.3 79.1 120 145 A L E -ce 6 282B 4 -115,-2.7 -113,-2.9 -2,-0.5 2,-0.5 -0.852 6.7-146.5-107.0 116.0 86.2 76.7 79.1 121 146 A I E +ce 7 283B 0 161,-3.3 163,-1.4 -2,-0.6 -113,-0.2 -0.626 31.0 156.2 -79.6 121.5 84.0 75.3 76.4 122 147 A A + 0 0 9 -115,-2.9 -112,-0.5 -2,-0.5 -109,-0.2 -0.571 22.1 126.8-142.7 67.8 81.4 72.9 77.8 123 148 A V - 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0 0 38 -2,-0.3 -14,-0.4 1,-0.1 -1,-0.1 -0.058 55.7-133.9 -40.6 133.6 65.2 35.2 82.5 379 433 A K - 0 0 25 -183,-0.1 2,-0.4 -16,-0.1 22,-0.3 -0.400 18.0-151.2-104.8 171.8 68.9 34.5 82.3 380 434 A T E +S 362 0G 0 -18,-2.1 -18,-2.5 20,-0.1 2,-0.4 -0.987 19.7 179.8-135.6 129.5 72.2 35.8 83.5 381 435 A Y E -ST 361 399G 6 18,-1.8 18,-1.6 -2,-0.4 2,-0.3 -0.991 3.5-170.6-134.1 133.2 75.4 35.3 81.5 382 436 A L E -ST 360 398G 0 -22,-2.5 -22,-2.9 -2,-0.4 2,-0.4 -0.948 4.7-162.9-130.9 158.9 78.9 36.3 82.2 383 437 A K E -ST 359 397G 1 14,-2.2 14,-2.0 -2,-0.3 2,-0.5 -0.997 7.6-167.2-141.4 125.4 82.2 36.5 80.4 384 438 A L E -ST 358 396G 0 -26,-4.8 -26,-2.7 -2,-0.4 2,-0.6 -0.975 12.0-162.8-109.4 123.6 85.9 36.8 81.4 385 439 A V E -ST 357 395G 0 10,-1.6 9,-1.4 -2,-0.5 10,-1.2 -0.930 11.3-167.8-108.2 119.4 88.2 37.6 78.6 386 440 A C E -ST 356 393G 1 -30,-3.9 -30,-3.1 -2,-0.6 2,-0.6 -0.944 9.0-166.4-120.4 128.4 91.8 36.8 79.5 387 441 A V E > -ST 355 392G 15 5,-2.3 5,-1.1 -2,-0.5 2,-0.5 -0.923 52.1 -4.1-113.4 114.6 94.9 37.9 77.6 388 442 A G T 5S- 0 0 46 -34,-1.8 -2,-0.1 -2,-0.6 5,-0.0 -0.905 94.0 -42.4 128.7-126.9 98.3 36.4 78.3 389 443 A K T 5S+ 0 0 188 -2,-0.5 -1,-0.2 0, 0.0 -3,-0.0 0.696 128.5 28.9-129.7 -40.8 100.0 34.0 80.8 390 444 A D T 5S- 0 0 105 -3,-0.2 31,-0.5 30,-0.0 30,-0.3 0.108 120.5-106.0-104.9 18.1 98.8 34.5 84.3 391 445 A E T 5 - 0 0 55 28,-0.2 29,-2.0 1,-0.1 2,-0.2 0.978 35.9-156.6 65.4 72.6 95.7 35.6 82.7 392 446 A L E < -UT 419 387G 46 -5,-1.1 -5,-2.3 27,-0.2 2,-0.9 -0.545 22.6-123.7 -69.1 142.3 95.1 39.4 82.8 393 447 A I E + T 0 386G 10 25,-1.5 -7,-0.2 -7,-0.2 25,-0.1 -0.806 37.4 168.3 -89.6 105.9 91.5 40.3 82.5 394 448 A K E + 0 0 62 -9,-1.4 -53,-2.9 -2,-0.9 2,-0.3 0.591 68.3 26.1 -93.5 -11.8 91.3 42.7 79.5 395 449 A G E -RT 340 385G 0 -10,-1.2 -10,-1.6 -55,-0.3 2,-0.3 -0.984 60.5-174.7-146.2 149.9 87.5 42.6 79.3 396 450 A L E +RT 339 384G 0 -57,-3.0 -57,-2.6 -2,-0.3 2,-0.3 -0.948 15.0 164.6-148.4 122.9 84.6 41.9 81.8 397 451 A H E +RT 338 383G 5 -14,-2.0 -14,-2.2 -2,-0.3 2,-0.3 -0.988 9.6 166.5-144.4 151.9 80.9 41.7 80.9 398 452 A I E -RT 337 382G 1 -61,-1.7 -61,-3.2 -2,-0.3 2,-0.4 -0.955 15.6-157.1-160.9 152.1 77.7 40.5 82.3 399 453 A I E +RT 336 381G 0 -18,-1.6 -18,-1.8 -2,-0.3 2,-0.3 -0.997 45.9 70.0-132.5 127.7 74.0 40.9 81.5 400 454 A G S > S- 0 0 0 -65,-2.5 3,-2.5 -2,-0.4 4,-0.4 -0.946 79.7 -14.2 160.9-175.6 71.3 40.4 84.1 401 455 A L T 3 S- 0 0 48 1,-0.3 32,-0.1 -2,-0.3 -35,-0.0 -0.403 130.3 -3.4 -52.3 116.1 69.3 41.3 87.1 402 456 A N T >> S+ 0 0 79 -2,-0.2 3,-1.7 1,-0.1 4,-1.0 0.607 83.5 137.1 73.8 16.2 71.5 43.9 88.7 403 457 A A H <> + 0 0 0 -3,-2.5 4,-1.4 1,-0.3 3,-0.4 0.845 69.5 66.2 -62.7 -27.3 74.4 43.8 86.4 404 458 A D H 34 S+ 0 0 24 -4,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.805 106.8 40.0 -60.1 -27.7 74.3 47.6 86.6 405 459 A E H <4 S+ 0 0 137 -3,-1.7 4,-0.3 1,-0.1 -1,-0.2 0.681 107.6 60.7-101.3 -11.9 75.3 47.3 90.2 406 460 A I H X S+ 0 0 25 -4,-1.0 4,-0.6 -3,-0.4 3,-0.2 0.749 96.0 58.6 -85.4 -25.0 77.8 44.5 90.0 407 461 A V H >X S+ 0 0 4 -4,-1.4 4,-1.7 1,-0.2 3,-1.0 0.912 80.0 75.9 -77.8 -43.2 80.4 46.0 87.7 408 462 A Q H 3> S+ 0 0 134 -4,-0.4 4,-0.7 1,-0.3 3,-0.3 0.830 101.0 48.4 -31.3 -49.3 81.6 49.3 89.3 409 463 A G H >> S+ 0 0 51 -4,-0.3 4,-0.9 1,-0.3 3,-0.7 0.836 104.3 54.3 -68.1 -41.5 83.7 47.3 91.7 410 464 A F H S+ 0 0 24 -4,-0.9 5,-2.3 2,-0.2 -2,-0.2 0.792 107.8 53.3 -82.5 -34.4 90.3 45.6 89.9 414 468 A L H ><5S+ 0 0 8 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.941 105.6 55.4 -66.1 -42.9 90.7 45.7 86.2 415 469 A K H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 104.8 55.3 -59.4 -25.1 92.5 49.0 86.6 416 470 A M T 3<5S- 0 0 110 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.012 116.8-114.9 -93.1 25.8 94.8 47.1 89.0 417 471 A N T < 5 - 0 0 112 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.814 50.1-177.0 45.6 39.1 95.7 44.6 86.3 418 472 A A < - 0 0 5 -5,-2.3 -25,-1.5 -25,-0.1 2,-0.3 -0.119 10.7-141.0 -58.8 162.8 94.0 41.8 88.4 419 473 A T B >> -U 392 0G 22 -27,-0.2 3,-2.8 1,-0.1 4,-1.8 -0.833 29.4 -98.6-126.1 166.6 94.1 38.2 87.1 420 474 A K H >> S+ 0 0 4 -29,-2.0 4,-2.7 1,-0.3 3,-0.8 0.942 127.4 55.8 -40.1 -56.0 91.9 35.2 86.9 421 475 A K H 3> S+ 0 0 120 -31,-0.5 4,-1.5 2,-0.2 -1,-0.3 0.619 101.8 56.2 -52.6 -20.8 93.8 34.0 90.0 422 476 A D H <4 S+ 0 0 62 -3,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.826 113.1 42.7 -78.4 -36.9 92.9 37.5 92.0 423 477 A F H X< S+ 0 0 7 -4,-1.8 3,-1.4 -3,-0.8 -2,-0.2 0.890 112.6 53.5 -70.9 -44.3 89.4 36.7 91.4 424 478 A D H 3< S+ 0 0 51 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.819 107.8 49.5 -64.5 -33.0 90.0 33.0 92.3 425 479 A E T 3< S+ 0 0 142 -4,-1.5 2,-0.8 -5,-0.2 -1,-0.3 0.468 90.1 101.7 -83.1 0.7 91.6 33.9 95.6 426 480 A T S < S- 0 0 71 -3,-1.4 -3,-0.0 12,-0.1 -4,-0.0 -0.749 75.1-135.2 -91.0 115.6 88.6 36.1 96.4 427 481 A I - 0 0 150 -2,-0.8 2,-0.1 1,-0.1 -2,-0.1 -0.519 29.7-125.1 -67.5 131.3 86.3 34.3 98.7 428 482 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.485 7.3-120.8 -81.7 157.3 82.7 34.9 97.3 429 483 A I > - 0 0 126 -2,-0.1 3,-0.6 2,-0.0 6,-0.3 -0.769 41.5-111.4 -94.1 135.1 79.6 36.3 98.9 430 484 A H T 3 S+ 0 0 144 -2,-0.4 3,-0.0 1,-0.3 4,-0.0 -0.948 84.3 13.1-128.3 138.2 76.6 34.0 99.0 431 485 A P T 3 S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.414 92.5 116.2-100.3 130.4 74.1 34.0 97.6 432 486 A T < - 0 0 52 -3,-0.6 4,-0.4 1,-0.1 3,-0.1 -0.969 65.0-124.4-144.7 157.0 74.5 36.6 94.9 433 487 A A S > S+ 0 0 11 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.933 110.1 58.7 -61.4 -41.8 74.6 37.0 91.2 434 488 A A T > S+ 0 0 27 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.783 87.4 70.7 -65.0 -31.7 78.1 38.6 91.5 435 489 A E T >> S+ 0 0 34 -6,-0.3 3,-2.7 1,-0.3 4,-0.7 0.781 79.3 79.4 -55.2 -26.5 79.9 35.6 93.2 436 490 A E H X> S+ 0 0 55 -3,-1.4 3,-0.9 -4,-0.4 4,-0.6 0.835 81.6 67.8 -54.8 -26.3 79.6 33.6 89.9 437 491 A F H <4 S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 3,-0.3 0.783 98.6 50.9 -63.0 -21.4 82.6 35.7 88.9 438 492 A L H <4 S+ 0 0 21 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.540 108.1 48.1 -99.2 -9.9 84.7 33.9 91.4 439 493 A T H << + 0 0 86 -3,-0.9 2,-2.4 -4,-0.7 -1,-0.2 0.378 65.4 130.7-111.2 7.7 83.9 30.4 90.6 440 494 A L < 0 0 12 -4,-0.6 -80,-0.1 -3,-0.3 -16,-0.1 -0.356 360.0 360.0 -60.1 82.2 84.4 30.4 86.8 441 495 A Q 0 0 174 -2,-2.4 -1,-0.2 -17,-0.0 -2,-0.0 0.662 360.0 360.0-113.8 360.0 86.6 27.4 87.0