==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-DEC-11 3UYI . COMPND 2 MOLECULE: PERAKINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RAUVOLFIA SERPENTINA; . AUTHOR L.SUN,Y.CHEN,C.RAJENDRAN,S.PANJIKAR,U.MUELLER,M.WANG,C.ROSEN . 313 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 1.0 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 2 2 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 1 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 0 A H 0 0 194 0, 0.0 43,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0-170.8 17.1 32.4 70.9 2 1 A M - 0 0 21 41,-0.1 2,-0.1 1,-0.1 42,-0.0 -0.349 360.0-133.5 -55.8 119.4 14.1 31.3 68.8 3 2 A P - 0 0 70 0, 0.0 13,-3.1 0, 0.0 2,-0.3 -0.432 18.9-141.7 -69.4 152.1 10.9 31.5 70.7 4 3 A R E -A 15 0A 102 11,-0.3 2,-0.3 12,-0.1 11,-0.3 -0.873 15.9-164.7-118.2 149.3 8.6 28.5 70.4 5 4 A V E -A 14 0A 21 9,-3.2 9,-3.2 -2,-0.3 2,-0.5 -0.982 26.1-113.8-137.7 144.5 4.9 28.4 70.2 6 5 A K E -A 13 0A 121 -2,-0.3 2,-0.7 7,-0.2 7,-0.3 -0.640 31.3-154.9 -72.1 119.4 1.9 26.0 70.5 7 6 A L - 0 0 0 5,-2.4 5,-0.4 -2,-0.5 3,-0.3 -0.913 62.0 -23.2-103.0 117.6 0.3 25.7 67.1 8 7 A G S S- 0 0 13 -2,-0.7 188,-0.2 1,-0.2 162,-0.1 -0.210 88.9 -81.2 73.0-168.8 -3.3 24.7 67.4 9 8 A T S S+ 0 0 89 186,-0.5 -1,-0.2 160,-0.3 187,-0.1 0.222 106.0 82.4-117.6 11.1 -4.5 22.9 70.6 10 9 A Q S S- 0 0 81 -3,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.521 112.6 -82.4 -96.4 -9.0 -3.6 19.3 70.0 11 10 A G S S+ 0 0 41 1,-0.3 2,-0.2 -4,-0.3 -3,-0.1 0.290 78.1 141.3 130.1 -10.7 0.1 19.4 71.1 12 11 A L - 0 0 5 -5,-0.4 -5,-2.4 -6,-0.1 2,-0.4 -0.462 27.2-172.2 -68.2 131.1 2.0 20.7 68.1 13 12 A E E +A 6 0A 69 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.994 7.7 173.8-121.6 135.4 4.8 23.1 69.1 14 13 A V E -A 5 0A 0 -9,-3.2 -9,-3.2 -2,-0.4 2,-0.1 -0.850 39.6 -90.0-132.9 166.6 6.8 24.9 66.5 15 14 A S E -A 4 0A 0 -2,-0.3 -11,-0.3 -11,-0.3 30,-0.1 -0.488 45.7-113.7 -65.6 146.6 9.5 27.6 66.3 16 15 A K S S+ 0 0 28 -13,-3.1 2,-0.5 -2,-0.1 -12,-0.1 0.815 108.3 45.6 -57.4 -28.8 7.8 31.1 66.1 17 16 A L S S- 0 0 2 -14,-0.3 30,-0.4 237,-0.1 29,-0.3 -0.961 77.1-165.8-117.2 128.5 9.2 31.3 62.6 18 17 A G - 0 0 1 237,-2.8 2,-0.4 -2,-0.5 30,-0.2 -0.522 17.1-122.1-103.6 176.9 8.9 28.4 60.2 19 18 A F E -b 48 0B 2 28,-2.7 30,-2.8 -2,-0.2 2,-0.6 -0.980 10.5-143.1-127.9 125.1 10.7 27.9 56.9 20 19 A G E -b 49 0B 9 237,-1.3 239,-0.4 -2,-0.4 3,-0.3 -0.757 9.7-169.2 -86.1 118.4 9.1 27.3 53.5 21 20 A C > + 0 0 1 28,-2.9 3,-2.0 -2,-0.6 4,-0.2 0.655 59.8 98.4 -80.1 -14.4 11.0 24.8 51.4 22 21 A M G >> S+ 0 0 70 27,-0.4 3,-1.9 1,-0.3 4,-0.6 0.830 79.0 52.4 -44.1 -56.5 9.2 25.5 48.0 23 22 A G G 34 S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.715 89.5 79.3 -60.1 -21.1 11.7 27.8 46.5 24 23 A L G <4 S+ 0 0 9 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.594 98.8 42.6 -65.0 -6.3 14.6 25.4 47.0 25 24 A S T <4 0 0 21 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.775 360.0 360.0-108.7 -34.8 13.5 23.4 44.0 26 25 A G < 0 0 101 -4,-0.6 -3,-0.1 -3,-0.1 -2,-0.1 0.466 360.0 360.0 37.5 360.0 12.6 25.9 41.2 27 ! 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 28 31 A L 0 0 158 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -55.9 18.4 25.3 42.4 29 32 A P > - 0 0 91 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.302 360.0-135.1 -70.6 139.4 21.5 22.9 43.4 30 33 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 98.5 52.1 -63.3 -48.9 20.7 20.2 45.9 31 34 A E H > S+ 0 0 163 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.871 111.7 48.9 -64.3 -30.6 23.7 20.5 48.2 32 35 A Q H > S+ 0 0 96 -3,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.865 106.9 57.3 -74.0 -35.5 23.1 24.2 48.6 33 36 A G H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.934 106.7 48.5 -52.3 -49.3 19.4 23.5 49.3 34 37 A I H X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.948 108.5 53.6 -58.2 -47.6 20.4 21.2 52.2 35 38 A A H X S+ 0 0 39 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.884 105.1 53.9 -59.9 -40.3 22.8 23.9 53.5 36 39 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.974 111.9 46.2 -59.0 -43.8 19.9 26.5 53.6 37 40 A I H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.948 113.1 46.8 -62.8 -50.5 17.9 24.0 55.6 38 41 A K H X S+ 0 0 78 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.962 112.7 51.9 -52.8 -53.2 20.8 23.2 58.1 39 42 A E H X S+ 0 0 58 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.915 108.3 50.8 -52.8 -48.3 21.5 26.9 58.4 40 43 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.3 3,-0.4 0.924 110.2 48.6 -55.8 -50.2 17.8 27.5 59.2 41 44 A F H ><5S+ 0 0 39 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.914 106.9 57.0 -55.6 -43.7 17.8 24.9 61.9 42 45 A N H 3<5S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.8 54.9 -57.4 -30.1 21.0 26.4 63.3 43 46 A C T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.374 131.6 -96.1 -82.7 7.1 19.1 29.7 63.7 44 47 A G T < 5S+ 0 0 8 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.467 78.7 140.1 95.9 1.2 16.5 27.8 65.7 45 48 A I < + 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -27,-0.1 -0.719 11.9 160.6 -83.5 126.1 13.9 27.1 63.0 46 49 A T + 0 0 13 -2,-0.5 31,-3.6 -29,-0.3 2,-0.7 0.402 49.5 86.1-121.1 -8.4 12.5 23.6 63.5 47 50 A F E - c 0 77B 1 -30,-0.4 -28,-2.7 29,-0.2 2,-0.4 -0.889 56.7-176.7-105.2 110.6 9.3 23.9 61.5 48 51 A F E -bc 19 78B 0 29,-2.3 31,-3.1 -2,-0.7 2,-0.5 -0.915 10.1-153.4-118.4 129.9 9.8 23.1 57.8 49 52 A D E +bc 20 79B 4 -30,-2.8 -28,-2.9 -2,-0.4 -27,-0.4 -0.863 27.5 140.7-109.3 127.4 7.0 23.3 55.2 50 53 A T - 0 0 0 29,-2.6 2,-0.3 -2,-0.5 3,-0.1 -0.690 27.0-148.3-139.8-166.0 6.8 21.4 51.9 51 54 A S > - 0 0 0 29,-0.2 3,-1.2 -2,-0.2 10,-0.4 -0.948 30.8-114.1-164.3 155.6 4.2 19.6 49.7 52 55 A D T 3 S+ 0 0 22 29,-1.8 6,-0.5 -2,-0.3 8,-0.2 0.810 115.0 58.8 -60.5 -25.0 4.0 16.6 47.3 53 56 A I T 3 S+ 0 0 50 28,-0.1 -1,-0.2 4,-0.1 2,-0.2 0.568 82.8 98.2 -83.6 -14.1 3.4 19.1 44.5 54 57 A Y S < S- 0 0 32 -3,-1.2 6,-1.3 2,-0.1 7,-0.4 -0.546 85.8 -3.0 -84.3 149.2 6.6 21.1 44.9 55 58 A G S S- 0 0 41 4,-0.2 2,-0.6 -2,-0.2 3,-0.2 -0.284 111.3 -42.7 66.0-157.8 9.5 20.4 42.6 56 59 A E S S- 0 0 151 1,-0.2 3,-0.1 -31,-0.1 -2,-0.1 -0.924 121.0 -15.0-114.6 116.3 9.4 17.6 40.1 57 60 A N S S- 0 0 143 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.1 0.898 132.6 -49.6 53.6 43.3 7.9 14.3 41.2 58 61 A G S > S+ 0 0 1 -6,-0.5 4,-1.7 -4,-0.3 -1,-0.2 0.806 91.1 149.1 69.7 33.8 8.2 15.4 44.8 59 62 A S H > + 0 0 37 -5,-0.2 4,-1.9 1,-0.2 -4,-0.2 0.782 69.6 60.0 -67.6 -25.0 11.8 16.5 44.5 60 63 A N H > S+ 0 0 0 -6,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.942 106.8 45.0 -69.4 -43.3 11.1 19.2 47.2 61 64 A E H > S+ 0 0 0 -7,-0.4 4,-2.4 -10,-0.4 -1,-0.2 0.863 112.9 52.1 -61.2 -39.0 10.1 16.5 49.7 62 65 A E H X S+ 0 0 82 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.839 108.2 51.4 -67.8 -33.2 13.1 14.4 48.7 63 66 A L H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 3,-0.2 0.941 112.7 44.7 -67.9 -48.7 15.4 17.4 49.3 64 67 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.895 109.1 55.9 -58.6 -43.8 14.0 18.0 52.8 65 68 A G H X S+ 0 0 3 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.827 108.3 50.2 -62.6 -31.1 14.2 14.3 53.6 66 69 A K H X S+ 0 0 95 -4,-1.2 4,-0.7 -3,-0.2 3,-0.4 0.881 108.0 51.1 -71.2 -41.0 17.9 14.6 52.7 67 70 A A H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.963 106.1 56.7 -60.8 -48.5 18.4 17.6 54.9 68 71 A L H >< S+ 0 0 9 -4,-3.0 3,-2.1 1,-0.3 5,-0.3 0.768 93.4 67.4 -51.9 -34.1 16.7 15.7 57.8 69 72 A K H 3< S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.818 104.5 45.3 -57.5 -27.4 19.3 12.9 57.4 70 73 A Q T << S+ 0 0 103 -3,-2.1 -1,-0.3 -4,-0.7 -2,-0.2 0.243 113.2 65.8 -97.4 14.2 21.8 15.4 58.7 71 74 A L S < S- 0 0 24 -3,-2.1 2,-1.5 -4,-0.0 3,-0.1 -0.889 92.9 -99.6-136.5 159.2 19.6 16.6 61.4 72 75 A P > - 0 0 40 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.645 39.0-171.1 -78.3 91.0 18.0 15.5 64.7 73 76 A R G > S+ 0 0 38 -2,-1.5 3,-1.9 -5,-0.3 5,-0.1 0.798 78.3 67.9 -63.1 -27.5 14.5 14.8 63.2 74 77 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.752 102.6 49.3 -60.9 -18.5 12.9 14.2 66.5 75 78 A K G < S+ 0 0 127 -3,-2.3 2,-0.4 2,-0.0 -1,-0.3 0.460 100.6 82.4 -98.4 -3.1 13.5 18.0 67.1 76 79 A I < - 0 0 1 -3,-1.9 2,-0.7 -4,-0.3 -29,-0.2 -0.796 66.8-145.3-109.1 142.0 12.0 19.0 63.7 77 80 A Q E -c 47 0B 19 -31,-3.6 -29,-2.3 -2,-0.4 2,-0.5 -0.928 18.3-156.5-103.8 118.7 8.4 19.5 62.8 78 81 A V E -c 48 0B 0 -2,-0.7 41,-2.5 -31,-0.2 2,-0.5 -0.836 7.8-169.5 -98.4 123.9 7.7 18.5 59.3 79 82 A G E +cd 49 119B 0 -31,-3.1 -29,-2.6 -2,-0.5 2,-0.3 -0.959 17.5 158.4-107.5 119.4 4.7 20.0 57.4 80 83 A T E - d 0 120B 0 39,-2.2 41,-2.7 -2,-0.5 2,-0.3 -0.870 19.6-149.4-132.8-179.3 3.7 18.5 54.1 81 84 A K E - d 0 121B 0 -2,-0.3 -29,-1.8 39,-0.3 2,-0.3 -0.934 10.1-169.3-145.3 158.0 0.6 18.4 52.0 82 85 A F E + d 0 122B 0 39,-2.2 41,-3.1 -2,-0.3 42,-0.4 -0.930 50.2 79.2-137.8 167.9 -1.5 16.4 49.5 83 86 A G + 0 0 0 1,-0.4 12,-2.4 -2,-0.3 2,-0.8 0.123 53.1 109.9 125.4 -24.7 -4.4 17.1 47.4 84 87 A I E +I 94 0C 8 10,-0.2 -1,-0.4 1,-0.2 10,-0.2 -0.792 37.2 169.3 -80.9 115.8 -3.3 19.0 44.3 85 88 A H E + 0 0 86 8,-2.8 2,-0.3 -2,-0.8 9,-0.2 0.782 59.7 9.7 -97.5 -37.7 -3.8 16.4 41.7 86 89 A E E -I 93 0C 121 7,-1.5 7,-3.3 2,-0.0 2,-0.6 -0.947 55.1-155.6-152.4 123.5 -3.4 18.3 38.5 87 90 A I E +I 92 0C 111 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.918 25.1 179.5 -99.2 124.2 -2.2 21.7 37.6 88 91 A G - 0 0 36 3,-3.0 3,-0.2 -2,-0.6 -2,-0.0 -0.438 45.3 -74.8-113.6-170.4 -3.6 22.9 34.3 89 92 A F S S- 0 0 165 1,-0.2 122,-0.2 -2,-0.2 119,-0.1 0.848 121.4 -0.3 -62.6 -39.6 -3.2 26.1 32.3 90 93 A S S S+ 0 0 129 119,-0.1 2,-0.3 120,-0.1 -1,-0.2 0.126 127.6 47.8-135.2 16.3 -5.4 28.4 34.4 91 94 A G - 0 0 38 -3,-0.2 -3,-3.0 2,-0.0 2,-0.4 -0.992 63.5-130.5-159.7 165.5 -6.7 26.1 37.0 92 95 A V E -I 87 0C 69 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.960 15.6-144.3-127.4 131.7 -5.9 23.5 39.6 93 96 A K E -I 86 0C 113 -7,-3.3 -8,-2.8 -2,-0.4 -7,-1.5 -0.882 17.3-158.6-100.0 117.4 -7.6 20.2 40.2 94 97 A A E -I 84 0C 16 -2,-0.6 2,-0.4 -10,-0.2 -10,-0.2 -0.666 4.8-164.9 -94.5 150.8 -8.0 19.0 43.8 95 98 A K + 0 0 77 -12,-2.4 29,-0.1 -2,-0.3 31,-0.1 -0.966 18.6 162.1-140.3 118.0 -8.5 15.5 44.9 96 99 A G + 0 0 2 -2,-0.4 -1,-0.1 26,-0.1 -12,-0.0 0.094 23.9 136.8-127.3 24.9 -9.7 14.4 48.3 97 100 A T > - 0 0 51 1,-0.1 4,-2.2 40,-0.0 3,-0.4 -0.428 64.3-116.1 -65.0 149.0 -10.9 10.8 48.1 98 101 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.855 114.3 56.7 -60.6 -39.0 -9.7 8.7 51.0 99 102 A D H > S+ 0 0 136 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.924 109.2 46.3 -52.3 -46.6 -7.7 6.4 48.7 100 103 A Y H > S+ 0 0 37 -3,-0.4 4,-3.1 1,-0.2 5,-0.3 0.917 109.2 54.6 -69.8 -38.2 -5.8 9.4 47.4 101 104 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.912 112.7 43.8 -57.0 -43.8 -5.3 10.7 50.9 102 105 A R H X S+ 0 0 66 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.930 115.6 45.5 -69.9 -48.2 -3.7 7.4 51.9 103 106 A S H X S+ 0 0 62 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.904 112.8 50.3 -68.4 -41.0 -1.6 7.0 48.9 104 107 A C H X S+ 0 0 7 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.952 112.1 49.6 -58.1 -48.9 -0.3 10.6 48.9 105 108 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.946 112.5 45.1 -50.3 -56.7 0.6 10.2 52.6 106 109 A E H X S+ 0 0 67 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.823 113.0 52.4 -62.7 -33.4 2.4 7.0 52.1 107 110 A A H X S+ 0 0 13 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.3 0.860 109.2 48.0 -70.5 -36.9 4.2 8.4 49.2 108 111 A S H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.894 106.8 58.7 -71.5 -36.1 5.3 11.5 51.1 109 112 A L H X>S+ 0 0 10 -4,-2.6 5,-1.8 -5,-0.2 4,-0.8 0.871 110.5 42.0 -59.1 -39.3 6.6 9.3 53.9 110 113 A K H <5S+ 0 0 149 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.874 114.0 49.5 -79.5 -39.9 8.9 7.5 51.5 111 114 A R H <5S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.970 118.7 40.4 -60.8 -47.7 10.1 10.6 49.6 112 115 A L H <5S- 0 0 1 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.729 103.1-139.1 -70.4 -20.4 10.8 12.3 53.0 113 116 A D T <5 + 0 0 98 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.934 57.5 125.6 55.5 54.3 12.2 9.0 54.4 114 117 A V < - 0 0 16 -5,-1.8 -1,-0.2 -6,-0.1 3,-0.1 -0.802 65.9-129.9-128.2 169.5 10.6 9.5 57.8 115 118 A D S S+ 0 0 149 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.541 89.8 9.8 -98.1 -11.0 8.2 7.2 59.8 116 119 A Y - 0 0 52 -7,-0.1 2,-0.4 32,-0.0 -1,-0.2 -0.976 65.6-130.3-159.0 161.1 5.7 9.9 60.4 117 120 A I E - e 0 147B 0 29,-2.0 31,-2.0 -2,-0.3 32,-0.4 -0.958 12.9-149.5-116.8 133.4 4.8 13.4 59.4 118 121 A D E S+ 0 0 6 -40,-0.5 31,-1.9 -2,-0.4 2,-0.4 0.962 84.9 14.5 -70.8 -47.5 4.1 16.0 62.1 119 122 A L E -de 79 149B 0 -41,-2.5 -39,-2.2 29,-0.2 2,-0.5 -0.979 67.3-176.3-134.9 119.3 1.6 18.1 60.2 120 123 A F E -de 80 150B 0 29,-2.3 31,-1.8 -2,-0.4 2,-0.3 -0.972 14.3-161.1-121.8 122.2 -0.1 16.9 57.0 121 124 A Y E -de 81 151B 0 -41,-2.7 -39,-2.2 -2,-0.5 2,-0.7 -0.761 28.3-122.4-105.0 152.2 -2.4 19.4 55.2 122 125 A I E -de 82 152B 3 29,-2.0 31,-1.1 -2,-0.3 -39,-0.2 -0.797 31.9-162.0 -77.3 117.8 -5.1 19.3 52.6 123 126 A H + 0 0 9 -41,-3.1 2,-0.3 -2,-0.7 -40,-0.2 0.838 70.0 10.3 -80.8 -33.5 -3.4 21.6 50.2 124 127 A R S S- 0 0 85 -42,-0.4 2,-0.4 -29,-0.1 -1,-0.3 -0.988 85.1-111.1-145.6 139.4 -6.5 22.4 48.1 125 128 A I - 0 0 33 29,-0.4 2,-0.8 -2,-0.3 -31,-0.2 -0.522 23.2-133.9 -79.1 124.7 -10.1 21.6 48.9 126 129 A D > - 0 0 15 -2,-0.4 3,-1.2 1,-0.1 8,-0.1 -0.704 15.5-160.1 -76.8 113.4 -11.7 19.1 46.7 127 130 A T T 3 S+ 0 0 137 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.1 0.372 83.3 58.8 -81.8 6.5 -15.0 20.7 45.9 128 131 A T T 3 S+ 0 0 96 1,-0.1 -1,-0.2 -34,-0.1 -2,-0.0 0.370 98.5 63.8-109.2 3.0 -16.7 17.4 44.8 129 132 A V S < S- 0 0 28 -3,-1.2 -1,-0.1 -32,-0.0 5,-0.1 -0.976 89.5-109.9-138.5 117.9 -16.2 15.5 48.1 130 133 A P >> - 0 0 69 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.236 26.7-131.5 -52.8 136.4 -17.6 16.3 51.5 131 134 A I H 3> S+ 0 0 9 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.828 103.8 69.1 -59.8 -31.8 -14.8 17.5 53.7 132 135 A E H 3> S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.872 97.8 50.9 -54.3 -37.8 -16.0 15.1 56.3 133 136 A I H <> S+ 0 0 87 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.957 111.4 45.1 -69.1 -49.1 -14.9 12.2 54.2 134 137 A T H X S+ 0 0 3 -4,-1.1 4,-1.7 1,-0.2 3,-0.5 0.920 113.1 51.6 -58.6 -44.3 -11.4 13.5 53.5 135 138 A M H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.821 101.9 63.7 -65.2 -27.7 -11.0 14.3 57.2 136 139 A G H X S+ 0 0 27 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.886 103.9 44.1 -62.4 -43.0 -12.1 10.8 58.0 137 140 A E H X S+ 0 0 26 -4,-1.3 4,-2.7 -3,-0.5 -1,-0.2 0.876 112.8 52.3 -69.4 -36.5 -9.1 9.2 56.4 138 141 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.924 104.4 56.3 -65.5 -40.9 -6.8 11.8 57.9 139 142 A X H X S+ 0 0 142 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.886 109.4 48.1 -50.6 -44.8 -8.3 10.9 61.3 140 143 A K H X S+ 0 0 100 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.915 107.3 53.5 -61.5 -54.3 -7.2 7.3 60.6 141 144 A L H X>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 6,-1.3 0.891 108.4 52.8 -52.5 -39.7 -3.7 8.3 59.5 142 145 A V H ><5S+ 0 0 30 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.949 109.2 46.5 -65.5 -46.0 -3.5 10.1 62.9 143 146 A E H 3<5S+ 0 0 110 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.797 110.4 53.4 -67.7 -29.7 -4.5 7.0 64.9 144 147 A E H 3<5S- 0 0 100 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.595 113.5-121.9 -78.6 -10.2 -2.1 4.8 62.9 145 148 A G T <<5S+ 0 0 39 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.588 79.8 122.9 79.2 11.5 0.6 7.3 63.8 146 149 A K S - 0 0 56 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.344 34.2-105.5 -69.4 155.1 -13.7 28.4 53.4 157 160 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.917 122.1 54.4 -46.5 -46.9 -15.2 28.9 56.9 158 161 A D H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.956 110.3 44.6 -59.1 -49.7 -17.7 26.1 56.1 159 162 A T H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.925 113.4 52.5 -54.4 -44.0 -15.0 23.6 55.2 160 163 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.964 112.4 42.8 -59.7 -57.3 -13.1 24.7 58.3 161 164 A R H X S+ 0 0 113 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.888 117.5 47.0 -54.1 -45.2 -16.0 24.2 60.7 162 165 A R H X S+ 0 0 85 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.915 113.0 47.8 -72.5 -37.0 -17.0 20.9 59.1 163 166 A A H >X S+ 0 0 0 -4,-3.1 4,-1.8 -5,-0.3 3,-0.7 0.949 109.5 54.1 -62.3 -46.3 -13.5 19.5 59.0 164 167 A H H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 101.0 58.8 -62.2 -34.1 -12.9 20.5 62.6 165 168 A A H 3< S+ 0 0 89 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.874 107.5 47.3 -66.6 -34.1 -16.0 18.6 63.8 166 169 A V H << S- 0 0 50 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.931 137.1 -14.2 -74.1 -44.4 -14.6 15.3 62.4 167 170 A H S < S- 0 0 30 -4,-1.8 -1,-0.3 -17,-0.0 -28,-0.0 -0.935 87.7 -90.4-154.8 138.7 -11.0 15.6 63.9 168 171 A P - 0 0 35 0, 0.0 2,-0.5 0, 0.0 -18,-0.5 -0.242 35.6-134.1 -55.5 131.5 -9.4 18.8 65.3 169 172 A V E -f 150 0B 1 1,-0.1 -160,-0.3 -9,-0.1 -18,-0.2 -0.780 14.0-166.2 -85.9 123.9 -7.5 20.9 62.9 170 173 A T E + 0 0 0 -20,-2.7 27,-2.5 -2,-0.5 2,-0.3 0.898 66.8 2.8 -76.7 -37.7 -4.1 22.0 64.2 171 174 A A E -fg 151 197B 0 -21,-0.9 -19,-2.4 25,-0.2 2,-0.5 -0.996 49.8-148.5-153.7 151.5 -3.4 24.8 61.6 172 175 A L E -fg 152 198B 2 25,-2.5 27,-3.0 -2,-0.3 2,-0.5 -0.986 17.5-157.2-120.9 122.7 -4.7 26.7 58.6 173 176 A Q E +fg 153 199B 5 -21,-2.6 -19,-1.8 -2,-0.5 2,-0.3 -0.898 31.7 145.3-103.5 129.3 -2.2 27.8 56.1 174 177 A I E - g 0 200B 12 25,-1.4 27,-1.6 -2,-0.5 2,-0.6 -0.954 55.0 -81.3-159.4 160.8 -3.4 30.7 54.1 175 178 A E E + g 0 201B 63 -2,-0.3 2,-0.3 25,-0.2 8,-0.3 -0.669 57.3 153.4 -78.6 121.4 -2.2 33.9 52.4 176 179 A Y + 0 0 9 25,-1.8 2,-0.3 -2,-0.6 5,-0.2 -0.916 7.4 125.1-151.7 123.3 -1.9 36.8 55.0 177 180 A S B > S-J 180 0D 6 3,-2.4 3,-1.3 -2,-0.3 66,-0.1 -0.899 73.9 -76.3-157.1-179.9 0.3 39.8 54.9 178 181 A L T 3 S+ 0 0 2 -2,-0.3 3,-0.1 1,-0.2 110,-0.1 0.728 132.5 46.0 -55.4 -27.3 0.1 43.6 55.1 179 182 A W T 3 S+ 0 0 133 1,-0.2 2,-0.3 111,-0.1 -1,-0.2 0.481 116.8 41.1 -96.0 -4.7 -1.1 43.5 51.6 180 183 A T B < +J 177 0D 17 -3,-1.3 -3,-2.4 110,-0.1 -1,-0.2 -0.861 57.1 147.5-152.8 104.4 -3.7 40.8 51.9 181 184 A R > + 0 0 33 -2,-0.3 3,-2.0 -5,-0.2 4,-0.4 0.065 26.9 122.6-132.8 16.4 -5.9 40.8 54.9 182 185 A D G >> + 0 0 84 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.737 68.8 67.2 -63.7 -17.8 -9.2 39.4 53.8 183 186 A I G 34>S+ 0 0 6 -8,-0.3 5,-2.8 1,-0.2 -1,-0.3 0.671 82.4 77.5 -72.9 -13.9 -9.0 36.5 56.3 184 187 A E G <45S+ 0 0 70 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 86.1 60.0 -65.6 -35.3 -9.4 39.0 59.2 185 188 A D T <45S- 0 0 139 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.950 133.2 -18.3 -58.5 -54.6 -13.1 39.4 58.7 186 189 A E T X5S+ 0 0 95 -4,-0.5 4,-2.0 3,-0.1 5,-0.2 0.733 126.2 62.9-126.3 -41.5 -14.2 35.9 59.3 187 190 A I H >5S+ 0 0 17 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.929 104.4 46.3 -61.7 -48.8 -11.4 33.3 59.0 188 191 A V H > S+ 0 0 64 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.881 112.7 52.6 -53.4 -37.8 -11.9 34.9 64.5 190 193 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.943 108.9 48.2 -63.1 -46.8 -13.2 31.4 63.5 191 194 A C H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.3 4,-1.3 0.942 112.5 50.0 -59.8 -40.4 -9.7 30.0 63.9 192 195 A R H <5S+ 0 0 117 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.823 110.1 50.5 -66.8 -24.5 -9.5 31.7 67.3 193 196 A Q H <5S+ 0 0 128 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.886 116.5 39.6 -82.6 -34.5 -12.9 30.2 68.2 194 197 A L H <5S- 0 0 40 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.543 112.2-114.7 -90.3 -3.9 -11.9 26.7 67.3 195 198 A G T <5 + 0 0 23 -4,-1.3 2,-0.5 1,-0.2 -186,-0.5 0.833 61.4 155.1 76.0 33.5 -8.4 26.9 68.6 196 199 A I < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -25,-0.2 -0.841 41.1-126.4-103.2 122.9 -6.8 26.5 65.2 197 200 A G E -g 171 0B 1 -27,-2.5 -25,-2.5 -2,-0.5 2,-0.5 -0.251 19.0-132.9 -62.6 154.3 -3.3 27.8 64.6 198 201 A I E -gh 172 253B 2 54,-2.6 56,-2.6 -27,-0.2 -25,-0.2 -0.952 17.0-171.1-117.8 121.8 -2.7 30.2 61.7 199 202 A V E -g 173 0B 0 -27,-3.0 -25,-1.4 -2,-0.5 2,-0.1 -0.841 15.7-163.3-114.2 90.9 0.2 29.7 59.2 200 203 A P E +g 174 0B 2 0, 0.0 56,-1.3 0, 0.0 2,-0.3 -0.392 11.2 176.0 -74.1 148.8 0.5 32.7 56.9 201 204 A Y E -g 175 0B 45 -27,-1.6 -25,-1.8 54,-0.2 -2,-0.0 -0.892 27.8-143.0-139.4 173.5 2.4 32.7 53.8 202 205 A S - 0 0 77 -2,-0.3 3,-0.1 -27,-0.2 -27,-0.1 -0.920 34.5-129.4-134.2 103.4 3.0 35.1 50.9 203 206 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.129 26.7-101.8 -58.1 157.4 3.2 33.1 47.7 204 207 A I - 0 0 102 1,-0.1 2,-2.3 2,-0.0 0, 0.0 -0.659 35.4-115.2 -84.2 133.7 6.2 33.6 45.5 205 208 A G S S+ 0 0 29 -2,-0.4 11,-1.5 -3,-0.1 2,-0.3 -0.445 75.0 105.2 -76.2 73.1 5.3 35.8 42.5 206 209 A R E +K 215 0E 186 -2,-2.3 2,-0.3 9,-0.2 9,-0.2 -0.951 34.5 123.1-135.1 163.3 5.8 33.4 39.6 207 210 A G E -K 214 0E 35 7,-1.9 7,-2.0 -2,-0.3 2,-0.4 -0.948 53.5 -76.0 178.7-159.6 3.2 31.7 37.4 208 211 A L E -K 213 0E 101 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -1.000 32.9-175.4-134.5 130.2 1.9 31.1 33.9 209 212 A F E > S-K 212 0E 121 3,-2.7 3,-2.5 -2,-0.4 -119,-0.1 -0.984 74.6 -17.4-131.6 122.5 -0.1 33.6 31.9 210 213 A A T 3 S- 0 0 74 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.947 129.0 -54.0 47.8 51.2 -1.6 32.8 28.5 211 214 A G T 3 S+ 0 0 26 -122,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.376 116.1 115.7 69.8 -1.4 0.9 29.9 28.4 212 215 A K E < S-K 209 0E 76 -3,-2.5 -3,-2.7 1,-0.0 -1,-0.2 -0.784 72.6-108.5-105.3 142.9 3.9 32.2 29.1 213 216 A A E -KL 208 304E 47 91,-0.5 91,-1.7 -2,-0.3 2,-0.3 -0.432 44.7-172.2 -60.4 133.5 6.3 32.1 32.1 214 217 A I E -KL 207 303E 29 -7,-2.0 -7,-1.9 89,-0.2 2,-0.3 -0.977 17.9-176.8-132.7 149.1 5.6 35.2 34.2 215 218 A K E -KL 206 302E 119 87,-1.6 87,-3.0 -2,-0.3 -9,-0.2 -0.931 33.8-104.3-133.3 158.3 7.3 36.9 37.2 216 219 A E E L 0 301E 96 -11,-1.5 85,-0.2 -2,-0.3 -11,-0.0 -0.541 360.0 360.0 -82.2 150.5 6.1 39.9 39.1 217 220 A S 0 0 95 83,-1.9 -1,-0.1 -2,-0.2 84,-0.1 0.921 360.0 360.0 -85.4 360.0 7.7 43.3 38.7 218 ! 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 0.0 219 240 A K 0 0 168 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.9 1.4 58.4 43.1 220 241 A N >> + 0 0 106 2,-0.1 3,-3.7 1,-0.1 4,-0.9 0.884 360.0 66.5 -89.9 -47.6 2.6 55.0 44.4 221 242 A K H 3> S+ 0 0 124 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.771 90.3 71.2 -45.4 -30.1 6.2 55.5 45.5 222 243 A Q H 3> S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.745 98.0 49.5 -59.6 -21.9 4.7 57.8 48.2 223 244 A I H <> S+ 0 0 62 -3,-3.7 4,-1.9 2,-0.2 -1,-0.2 0.825 107.5 51.6 -87.5 -33.5 3.5 54.5 49.8 224 245 A Y H X S+ 0 0 123 -4,-0.9 4,-2.9 2,-0.2 5,-0.2 0.834 108.4 53.5 -71.1 -30.8 6.9 52.8 49.6 225 246 A Y H X S+ 0 0 129 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.934 103.7 54.9 -72.3 -40.0 8.3 55.8 51.4 226 247 A R H X S+ 0 0 143 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.966 114.6 42.1 -48.5 -54.0 5.8 55.5 54.2 227 248 A I H X S+ 0 0 13 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.935 114.0 47.4 -64.4 -51.5 6.9 51.9 54.7 228 249 A E H X S+ 0 0 57 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.923 111.6 53.1 -59.5 -39.7 10.7 52.4 54.4 229 250 A A H X S+ 0 0 54 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.876 111.2 45.9 -64.5 -35.7 10.4 55.3 56.7 230 251 A L H X S+ 0 0 16 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.861 112.5 50.3 -73.7 -36.4 8.6 53.2 59.3 231 252 A S H ><>S+ 0 0 2 -4,-2.9 5,-2.2 2,-0.2 3,-0.6 0.958 110.7 49.1 -67.6 -43.1 11.1 50.3 58.9 232 253 A Q H ><5S+ 0 0 134 -4,-3.3 3,-1.5 1,-0.3 -2,-0.2 0.929 109.7 52.9 -58.6 -42.7 14.0 52.8 59.3 233 254 A K H 3<5S+ 0 0 128 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.825 109.9 48.2 -60.8 -30.5 12.2 54.0 62.4 234 255 A H T <<5S- 0 0 35 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.343 115.2-114.1 -96.0 10.8 12.0 50.5 63.7 235 256 A G T < 5S+ 0 0 61 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.799 82.8 94.8 64.1 31.3 15.6 49.7 63.0 236 257 A C S - 0 0 55 -2,-0.3 4,-2.6 30,-0.1 5,-0.2 -0.494 39.9-109.2 -83.2 158.4 14.4 46.6 56.6 238 259 A P H > S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.842 122.2 55.2 -52.1 -40.6 10.9 46.9 54.9 239 260 A V H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.907 111.0 43.8 -59.8 -43.8 11.1 43.1 54.4 240 261 A Q H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.847 109.5 56.2 -71.6 -32.5 11.5 42.6 58.1 241 262 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.912 107.4 48.7 -68.1 -38.3 8.9 45.2 58.9 242 263 A A H X S+ 0 0 16 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.941 113.7 47.0 -66.1 -41.2 6.3 43.3 56.9 243 264 A L H X S+ 0 0 17 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.950 110.4 53.0 -65.6 -44.5 7.3 40.1 58.6 244 265 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.898 104.7 54.9 -56.4 -42.5 7.2 41.7 62.0 245 266 A W H < S+ 0 0 1 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.929 111.0 46.0 -58.3 -42.8 3.7 43.0 61.4 246 267 A V H >< S+ 0 0 10 -4,-1.7 3,-2.5 1,-0.2 4,-0.2 0.975 110.3 52.6 -63.5 -54.7 2.6 39.4 60.7 247 268 A L H >< S+ 0 0 14 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.790 106.8 54.8 -48.4 -34.5 4.4 38.0 63.7 248 269 A H T 3< S+ 0 0 55 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.421 82.9 86.4 -85.5 1.6 2.6 40.6 65.9 249 270 A Q T < S- 0 0 44 -3,-2.5 -1,-0.2 1,-0.3 2,-0.2 0.528 106.2 -34.0 -84.4 -4.9 -0.9 39.6 64.8 250 271 A G X - 0 0 20 -3,-0.8 3,-1.9 -4,-0.2 -1,-0.3 -0.652 46.8-106.7 162.2 155.8 -1.0 36.9 67.4 251 272 A E T 3 S+ 0 0 181 1,-0.3 -245,-0.1 -2,-0.2 -1,-0.1 0.582 119.6 57.0 -65.2 -9.4 0.7 34.2 69.5 252 273 A D T 3 S+ 0 0 36 -245,-0.1 -54,-2.6 -3,-0.1 2,-0.6 0.271 85.7 100.6-104.2 5.8 -1.1 31.7 67.3 253 274 A V B < +h 198 0B 1 -3,-1.9 -54,-0.2 -6,-0.2 -3,-0.2 -0.862 43.6 174.1 -97.9 121.0 0.4 33.1 64.1 254 275 A V - 0 0 0 -56,-2.6 -237,-0.1 -2,-0.6 -238,-0.1 -0.858 13.3-161.5-128.1 93.9 3.5 31.2 62.6 255 276 A P - 0 0 7 0, 0.0 -237,-2.8 0, 0.0 -54,-0.2 -0.409 4.8-156.7 -75.9 155.5 4.6 32.6 59.2 256 277 A I - 0 0 9 -56,-1.3 -237,-0.2 -239,-0.2 -54,-0.1 -0.514 15.7-178.6-131.6 62.3 6.8 30.3 57.1 257 278 A P - 0 0 35 0, 0.0 -237,-1.3 0, 0.0 2,-0.3 -0.328 11.3-152.7 -65.2 145.0 8.8 32.5 54.7 258 279 A G + 0 0 45 -239,-0.2 2,-0.3 -237,-0.0 -237,-0.1 -0.842 18.3 167.6-111.2 155.9 11.1 30.8 52.3 259 280 A T - 0 0 17 -239,-0.4 -235,-0.1 -2,-0.3 3,-0.0 -0.957 35.7-142.1-157.2 158.3 14.3 31.9 50.6 260 281 A T S S+ 0 0 59 -2,-0.3 2,-0.4 -237,-0.1 -224,-0.1 0.326 83.5 78.8 -95.5 -1.6 17.1 30.3 48.6 261 282 A K > - 0 0 119 1,-0.1 4,-2.1 -225,-0.0 5,-0.1 -0.928 69.3-145.5-120.5 136.6 19.7 32.6 50.2 262 283 A I H > S+ 0 0 47 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.821 103.0 55.8 -60.7 -31.0 21.3 32.3 53.7 263 284 A K H > S+ 0 0 161 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 107.6 45.8 -77.0 -39.1 21.4 36.1 53.9 264 285 A N H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 111.0 56.1 -68.1 -35.4 17.6 36.5 53.3 265 286 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.962 108.4 46.1 -55.6 -51.9 17.1 33.7 55.9 266 287 A H H X S+ 0 0 79 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.861 110.2 54.2 -62.6 -39.3 19.1 35.7 58.5 267 288 A N H X S+ 0 0 72 -4,-2.1 4,-0.9 2,-0.2 -1,-0.3 0.896 108.2 49.7 -62.6 -38.5 17.2 38.8 57.6 268 289 A N H >< S+ 0 0 18 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.947 110.4 49.4 -66.4 -42.0 13.9 36.9 58.3 269 290 A V H >< S+ 0 0 31 -4,-2.5 3,-1.8 1,-0.3 4,-0.2 0.910 103.3 62.1 -62.1 -40.1 15.2 35.6 61.6 270 291 A G H >< S+ 0 0 16 -4,-2.4 3,-2.3 1,-0.3 4,-0.4 0.798 86.4 75.1 -51.3 -31.6 16.2 39.1 62.4 271 292 A A G X< S+ 0 0 1 -3,-1.2 3,-1.3 -4,-0.9 -1,-0.3 0.777 81.8 69.3 -59.3 -25.3 12.5 40.2 62.2 272 293 A L G < S+ 0 0 33 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.721 89.8 61.7 -62.5 -23.7 11.9 38.5 65.5 273 294 A K G < S+ 0 0 133 -3,-2.3 2,-0.4 -4,-0.2 -1,-0.2 0.620 82.6 96.6 -81.6 -16.3 13.9 41.2 67.4 274 295 A V < - 0 0 7 -3,-1.3 2,-0.5 -4,-0.4 -39,-0.1 -0.616 59.3-166.3 -76.6 128.2 11.6 43.9 66.2 275 296 A K - 0 0 158 -2,-0.4 2,-0.4 -41,-0.2 -2,-0.1 -0.959 2.5-166.4-118.0 135.2 9.0 44.7 68.9 276 297 A L - 0 0 17 -2,-0.5 -2,-0.0 -32,-0.1 -42,-0.0 -0.970 12.3-139.7-129.4 131.1 5.9 46.8 68.1 277 298 A T > - 0 0 67 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.201 39.5-100.0 -71.4 167.9 3.3 48.5 70.3 278 299 A K H > S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 128.0 48.8 -56.7 -36.1 -0.4 48.4 69.5 279 300 A E H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.825 105.7 53.6 -76.2 -37.0 0.2 51.9 68.2 280 301 A D H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.856 110.7 50.7 -64.0 -32.2 3.2 51.1 66.1 281 302 A L H X S+ 0 0 25 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.874 107.5 48.7 -74.0 -42.0 1.1 48.4 64.4 282 303 A K H X S+ 0 0 129 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.888 110.1 54.9 -63.5 -36.6 -1.9 50.4 63.5 283 304 A E H X S+ 0 0 79 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.944 111.8 43.5 -59.0 -45.6 0.6 53.0 62.1 284 305 A I H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 4,-0.5 0.921 113.0 50.7 -68.6 -43.9 2.0 50.2 59.9 285 306 A S H >< S+ 0 0 21 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.934 110.8 51.4 -53.2 -46.4 -1.5 48.8 59.0 286 307 A D H 3< S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.675 96.4 67.0 -69.5 -20.9 -2.6 52.4 58.0 287 308 A A T << S+ 0 0 17 -4,-1.0 -1,-0.3 -3,-0.6 -60,-0.2 0.675 98.8 60.3 -73.4 -17.6 0.4 53.0 55.8 288 309 A V S < S- 0 0 6 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.0 -0.933 83.2-135.0-119.6 115.5 -0.9 50.3 53.4 289 310 A P - 0 0 85 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.300 22.5-120.7 -62.4 143.4 -4.3 50.6 51.7 290 311 A L - 0 0 110 1,-0.1 -110,-0.1 2,-0.1 2,-0.1 -0.446 39.6 -85.5 -80.9 157.7 -6.6 47.6 51.7 291 312 A D - 0 0 65 -112,-0.1 -1,-0.1 1,-0.1 6,-0.1 -0.364 31.6-128.0 -64.1 142.2 -7.8 46.1 48.4 292 313 A E S S+ 0 0 206 1,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.966 100.0 35.5 -55.2 -57.3 -10.9 47.7 46.9 293 314 A V S S- 0 0 75 3,-0.2 3,-0.3 1,-0.0 -1,-0.2 -0.879 102.8-106.6-101.4 132.1 -12.7 44.4 46.5 294 315 A A S S+ 0 0 84 -2,-0.5 2,-0.6 1,-0.2 3,-0.1 -0.322 102.1 3.8 -58.2 125.1 -12.0 41.8 49.2 295 316 A G S S+ 0 0 42 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 -0.264 103.2 107.9 95.1 -48.4 -9.7 39.1 47.8 296 317 A E + 0 0 125 -2,-0.6 2,-0.3 -3,-0.3 -1,-0.3 -0.383 44.2 176.4 -61.7 139.3 -9.2 40.7 44.4 297 318 A S - 0 0 44 -3,-0.1 2,-0.5 -6,-0.1 -117,-0.0 -0.986 24.1-133.1-145.5 145.1 -5.7 42.1 43.9 298 319 A I - 0 0 152 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.880 26.4-177.0-105.7 132.2 -4.1 43.7 40.8 299 320 A H - 0 0 106 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.976 21.7-144.5-133.3 140.9 -0.7 42.7 39.8 300 321 A E + 0 0 142 -2,-0.4 -83,-1.9 2,-0.0 2,-0.3 -0.924 29.8 177.4-105.0 125.7 1.7 43.7 37.1 301 322 A V E -L 216 0E 59 -2,-0.5 2,-0.6 -85,-0.2 -85,-0.2 -0.914 26.5-130.7-132.4 149.6 3.7 40.9 35.7 302 323 A I E -L 215 0E 79 -87,-3.0 -87,-1.6 -2,-0.3 2,-0.3 -0.926 21.9-161.6-107.0 126.4 6.3 40.4 32.9 303 324 A A E -L 214 0E 39 -2,-0.6 2,-0.4 -89,-0.2 -89,-0.2 -0.698 0.6-157.2 -98.4 149.7 5.8 37.6 30.5 304 325 A V E -L 213 0E 79 -91,-1.7 -91,-0.5 -2,-0.3 -2,-0.0 -0.986 25.2-106.4-128.1 144.4 8.5 36.1 28.2 305 326 A T - 0 0 74 -2,-0.4 4,-0.3 -93,-0.1 -94,-0.0 -0.250 19.8-134.9 -66.0 155.8 8.0 34.2 25.0 306 327 A N S S+ 0 0 106 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.622 91.7 60.5 -86.5 -20.8 8.4 30.5 24.8 307 328 A W S > S+ 0 0 195 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 0.821 75.9 85.6 -87.9 -27.8 10.5 30.1 21.7 308 329 A K T 3 S+ 0 0 142 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.856 111.6 17.6 -37.3 -58.0 13.6 32.1 22.4 309 330 A F T 3 S+ 0 0 164 -4,-0.3 2,-2.4 -3,-0.1 -1,-0.3 0.046 83.2 124.7-111.2 21.5 15.3 29.1 24.1 310 331 A A < + 0 0 72 -3,-2.1 2,-0.2 2,-0.0 -1,-0.1 -0.412 46.4 137.1 -76.0 64.5 13.2 26.3 22.9 311 332 A N - 0 0 128 -2,-2.4 -2,-0.1 3,-0.0 -3,-0.0 -0.560 43.5-139.9-105.9 172.9 16.5 24.6 21.6 312 333 A T - 0 0 117 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.966 28.9 -89.8-140.1 153.8 17.6 21.1 21.8 313 334 A P - 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.375 48.8-119.9 -64.8 127.0 20.9 19.3 22.5 314 335 A P 0 0 125 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.132 360.0 360.0 -59.1 160.7 22.9 18.8 19.2 315 336 A L 0 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.730 360.0 360.0 -76.1 360.0 23.8 15.3 18.1