==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-SEP-10 3OWO . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR J.H.MOON,H.J.LEE,J.M.SONG,S.Y.PARK,M.Y.PARK,H.M.PARK,J.SUN,J . 1527 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1144 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 0 0.0 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 . 75 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 656 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.8 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 5 1 1 4 2 4 4 4 0 5 2 0 3 0 4 0 4 4 0 4 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 4 4 4 9 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 0 4 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 2 A A 0 0 71 0, 0.0 396,-0.2 0, 0.0 557,-0.1 0.000 360.0 360.0 360.0 62.5 10.9 -23.2 -20.4 2 3 A S + 0 0 85 394,-0.3 2,-0.3 1,-0.2 395,-0.3 0.999 360.0 141.3 62.3 72.8 7.7 -24.1 -18.7 3 4 A S E -A 396 0A 23 393,-2.9 393,-2.9 2,-0.0 2,-0.4 -0.873 42.5-143.5-136.3 168.8 7.8 -21.5 -16.0 4 5 A T E -A 395 0A 25 -2,-0.3 2,-0.6 251,-0.3 391,-0.2 -0.996 6.1-153.0-138.4 130.4 5.5 -19.1 -14.2 5 6 A F E -A 394 0A 4 389,-2.9 389,-1.3 -2,-0.4 2,-0.3 -0.931 17.2-168.4-107.4 114.3 6.3 -15.6 -13.0 6 7 A Y E +A 393 0A 15 -2,-0.6 387,-0.2 387,-0.2 386,-0.1 -0.823 21.9 135.1-103.6 142.6 4.2 -14.5 -10.0 7 8 A I - 0 0 0 385,-1.4 139,-0.1 -2,-0.3 161,-0.1 -0.926 55.7 -80.3-178.2 152.6 4.0 -11.0 -8.7 8 9 A P - 0 0 0 0, 0.0 162,-0.2 0, 0.0 3,-0.1 -0.323 35.9-124.4 -64.8 150.0 1.3 -8.5 -7.4 9 10 A F S S+ 0 0 24 160,-0.3 381,-1.4 161,-0.2 2,-0.4 0.802 98.6 30.1 -61.5 -34.9 -0.7 -6.5 -10.1 10 11 A V E -gH 171 389B 9 160,-1.0 162,-2.1 159,-0.2 2,-0.4 -0.995 64.5-178.3-134.6 129.8 0.4 -3.2 -8.6 11 12 A N E -gH 172 388B 0 377,-1.3 377,-2.3 -2,-0.4 2,-0.4 -0.941 11.2-159.7-132.0 107.3 3.6 -2.4 -6.7 12 13 A E E +gH 173 387B 2 160,-3.2 162,-2.4 -2,-0.4 2,-0.3 -0.712 20.1 173.0 -89.0 136.3 4.1 1.1 -5.3 13 14 A M E +gH 174 386B 3 373,-2.9 373,-2.9 -2,-0.4 162,-0.2 -0.975 24.5 34.5-145.2 157.4 7.7 2.1 -4.5 14 15 A G S > S- 0 0 0 160,-2.2 3,-2.3 -2,-0.3 4,-0.3 -0.120 93.8 -23.0 92.4 169.5 9.8 5.1 -3.5 15 16 A E T 3 S+ 0 0 109 1,-0.3 370,-0.4 160,-0.2 -2,-0.1 -0.316 132.1 11.4 -56.3 120.1 9.4 8.1 -1.2 16 17 A G T 3> S+ 0 0 31 -2,-0.1 4,-1.7 368,-0.1 -1,-0.3 0.448 85.6 123.6 90.6 1.5 5.8 8.9 -0.8 17 18 A S H <> + 0 0 1 -3,-2.3 4,-2.7 1,-0.2 5,-0.2 0.798 68.3 62.5 -65.7 -26.9 4.4 5.7 -2.3 18 19 A L H > S+ 0 0 4 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.932 106.9 42.5 -62.3 -46.6 2.5 4.9 0.9 19 20 A E H > S+ 0 0 117 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.868 113.9 51.5 -67.9 -38.1 0.4 8.0 0.5 20 21 A K H X S+ 0 0 47 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.931 111.3 49.7 -64.0 -44.5 -0.1 7.5 -3.2 21 22 A A H < S+ 0 0 2 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.911 113.2 43.2 -60.7 -48.4 -1.2 3.9 -2.4 22 23 A I H >< S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.908 110.9 57.0 -66.2 -40.7 -3.7 4.9 0.2 23 24 A K H >< S+ 0 0 114 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.852 98.3 60.3 -58.2 -37.2 -5.0 7.7 -1.9 24 25 A D T 3< S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.631 92.7 70.0 -67.0 -11.9 -5.7 5.3 -4.8 25 26 A L T X + 0 0 18 -3,-1.8 3,-2.3 -4,-0.3 2,-0.6 0.599 69.5 110.9 -80.7 -12.8 -8.1 3.6 -2.4 26 27 A N T < S+ 0 0 101 -3,-1.7 32,-0.1 1,-0.3 -3,-0.0 -0.517 89.5 14.2 -68.6 114.7 -10.6 6.5 -2.5 27 28 A G T 3 S+ 0 0 75 -2,-0.6 -1,-0.3 30,-0.4 -2,-0.1 0.498 92.3 118.9 97.7 7.7 -13.7 5.3 -4.3 28 29 A S S < S- 0 0 49 -3,-2.3 -2,-0.1 2,-0.1 3,-0.1 0.640 80.7-121.1 -78.8 -17.1 -12.6 1.7 -4.0 29 30 A G + 0 0 68 1,-0.3 2,-0.3 -4,-0.3 -3,-0.1 0.320 67.9 134.6 93.3 -10.1 -15.7 0.8 -1.9 30 31 A F + 0 0 56 -5,-0.4 -1,-0.3 1,-0.1 -3,-0.2 -0.566 21.7 167.6 -75.4 136.5 -13.6 -0.4 1.1 31 32 A K + 0 0 113 -2,-0.3 29,-2.7 1,-0.2 2,-0.5 0.656 62.1 40.7-120.5 -29.2 -15.0 0.8 4.4 32 33 A N E -i 60 0B 28 27,-0.2 57,-2.0 55,-0.2 58,-0.8 -0.926 65.4-166.8-132.2 111.9 -13.3 -1.1 7.1 33 34 A A E -ij 61 90B 1 27,-2.9 29,-2.6 -2,-0.5 2,-0.6 -0.709 13.1-145.9 -97.5 144.5 -9.6 -2.0 7.0 34 35 A L E -ij 62 91B 0 56,-1.9 58,-3.1 -2,-0.3 2,-0.7 -0.941 14.7-155.9-108.2 112.2 -7.8 -4.6 9.2 35 36 A I E -ij 63 92B 0 27,-2.9 29,-2.8 -2,-0.6 2,-0.5 -0.813 7.5-164.4 -93.6 113.9 -4.3 -3.4 9.9 36 37 A V E +ij 64 93B 0 56,-3.0 58,-2.9 -2,-0.7 2,-0.3 -0.865 29.2 128.4-100.4 124.7 -2.0 -6.4 10.8 37 38 A S E - j 0 94B 0 27,-2.6 30,-1.5 -2,-0.5 58,-0.1 -0.911 53.4 -80.5-158.1-176.3 1.3 -5.5 12.4 38 39 A D > - 0 0 35 56,-0.5 4,-0.8 -2,-0.3 30,-0.1 -0.158 43.7-107.9 -83.5-176.3 3.8 -6.1 15.3 39 40 A A H > S+ 0 0 47 28,-0.4 4,-1.9 2,-0.2 5,-0.1 0.812 118.6 52.4 -84.4 -32.0 3.5 -4.6 18.8 40 41 A F H > S+ 0 0 164 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.691 104.9 55.0 -77.2 -20.9 6.4 -2.2 18.1 41 42 A M H 4>S+ 0 0 42 2,-0.2 6,-1.2 1,-0.1 5,-0.9 0.835 110.4 46.2 -79.0 -34.7 4.9 -0.9 14.9 42 43 A N H ><5S+ 0 0 46 -4,-0.8 3,-0.9 4,-0.2 6,-0.3 0.904 114.9 46.4 -73.5 -42.3 1.7 0.0 16.7 43 44 A K H 3<5S+ 0 0 166 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.931 105.7 58.4 -65.6 -47.3 3.5 1.7 19.6 44 45 A S T 3<5S- 0 0 74 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.528 116.0-112.9 -62.9 -6.0 5.9 3.7 17.4 45 46 A G T <>5S+ 0 0 19 -3,-0.9 4,-2.3 -4,-0.2 5,-0.2 0.335 85.1 118.5 92.8 -8.2 2.9 5.3 15.8 46 47 A V H >> S+ 0 0 3 -6,-1.2 4,-2.9 2,-0.2 3,-0.6 0.971 108.7 47.3 -62.6 -53.6 -0.1 2.2 12.6 48 49 A K H 3> S+ 0 0 112 -6,-0.3 4,-3.0 1,-0.3 5,-0.3 0.912 107.3 58.6 -51.6 -48.0 -1.9 5.5 13.5 49 50 A Q H 3X S+ 0 0 90 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.875 111.6 40.7 -50.0 -42.0 -0.1 7.1 10.6 50 51 A V H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-0.7 0.880 104.8 54.7 -67.1 -39.3 -7.2 5.9 5.6 55 56 A K H ><5S+ 0 0 105 -4,-1.7 3,-2.6 1,-0.3 -2,-0.2 0.909 99.8 60.0 -61.9 -41.6 -9.7 8.1 7.4 56 57 A A H 3<5S+ 0 0 76 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.796 106.6 49.1 -56.1 -27.7 -9.0 11.0 5.0 57 58 A Q T <<5S- 0 0 42 -3,-0.7 -30,-0.4 -4,-0.7 -1,-0.3 0.119 125.8-102.4 -99.4 20.3 -10.2 8.6 2.2 58 59 A G T < 5S+ 0 0 63 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.733 81.1 130.7 68.2 24.8 -13.3 7.6 4.1 59 60 A I < - 0 0 3 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.942 41.6-157.6-115.8 121.9 -12.0 4.3 5.3 60 61 A N E -i 32 0B 70 -29,-2.7 -27,-2.9 -2,-0.5 2,-0.3 -0.398 15.4-161.6 -87.1 170.3 -12.2 3.2 8.9 61 62 A S E -i 33 0B 22 -29,-0.2 2,-0.3 -2,-0.1 -27,-0.2 -0.999 20.4-155.3-158.4 153.9 -9.9 0.6 10.5 62 63 A A E -i 34 0B 14 -29,-2.6 -27,-2.9 -2,-0.3 2,-0.4 -0.876 25.4-136.4-122.3 154.4 -9.2 -1.8 13.3 63 64 A V E -i 35 0B 50 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.911 17.9-171.8-123.2 146.1 -5.8 -3.0 14.4 64 65 A Y E +i 36 0B 9 -29,-2.8 -27,-2.6 -2,-0.4 3,-0.3 -0.926 12.3 168.1-131.3 103.8 -4.2 -6.3 15.3 65 66 A D + 0 0 60 -2,-0.4 -23,-0.1 -29,-0.2 -24,-0.1 0.066 47.7 104.4-103.8 22.7 -0.7 -5.8 16.6 66 67 A G + 0 0 25 -28,-0.1 2,-0.2 9,-0.1 -1,-0.2 0.448 41.4 127.2 -85.0 0.6 -0.3 -9.4 18.0 67 68 A V - 0 0 5 -30,-1.5 -28,-0.4 -3,-0.3 31,-0.1 -0.404 42.6-162.2 -62.8 123.8 2.0 -10.7 15.2 68 69 A M - 0 0 125 -2,-0.2 4,-0.1 2,-0.1 -2,-0.0 -0.652 37.0 -79.8-102.7 160.7 5.1 -12.2 16.7 69 70 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 28,-0.0 -0.381 120.3 28.1 -58.0 140.3 8.4 -12.9 14.9 70 71 A N S S- 0 0 67 -3,-0.1 -2,-0.1 2,-0.0 81,-0.1 0.959 106.2-110.1 67.1 85.9 7.7 -16.1 13.0 71 72 A P - 0 0 7 0, 0.0 81,-2.6 0, 0.0 2,-0.3 -0.054 35.2-156.7 -46.9 142.9 3.9 -16.0 12.4 72 73 A T B > -m 152 0C 21 79,-0.2 4,-1.7 1,-0.1 81,-0.2 -0.833 26.9-119.9-122.8 161.7 1.8 -18.5 14.3 73 74 A V H > S+ 0 0 11 79,-1.6 4,-2.2 -2,-0.3 5,-0.2 0.859 114.8 59.1 -68.2 -35.0 -1.7 -20.0 13.7 74 75 A T H > S+ 0 0 75 78,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.877 104.6 52.2 -61.0 -34.8 -2.9 -18.6 17.0 75 76 A A H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.943 107.1 50.6 -64.9 -48.1 -2.0 -15.2 15.5 76 77 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.858 111.7 49.4 -57.9 -36.5 -4.0 -15.8 12.4 77 78 A L H X S+ 0 0 88 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.891 109.9 50.8 -70.3 -40.2 -6.9 -16.8 14.5 78 79 A E H X S+ 0 0 100 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.930 114.3 42.6 -63.7 -46.9 -6.6 -13.6 16.7 79 80 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.865 110.7 58.2 -67.5 -34.0 -6.5 -11.4 13.7 80 81 A L H X S+ 0 0 31 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.853 105.8 48.8 -63.5 -35.7 -9.3 -13.4 12.1 81 82 A K H X S+ 0 0 117 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.900 108.4 52.9 -71.4 -41.5 -11.6 -12.7 15.1 82 83 A I H X S+ 0 0 40 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.901 107.2 52.9 -60.2 -40.4 -10.8 -8.9 15.0 83 84 A L H X>S+ 0 0 18 -4,-2.1 5,-1.7 1,-0.2 4,-0.7 0.872 109.0 51.4 -61.9 -36.2 -11.8 -9.0 11.3 84 85 A K H ><5S+ 0 0 156 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.953 108.6 48.1 -66.4 -50.8 -15.1 -10.6 12.4 85 86 A D H 3<5S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 121.7 36.1 -65.8 -18.8 -15.9 -8.0 15.1 86 87 A N H 3<5S- 0 0 69 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.393 101.3-131.2-112.6 -1.2 -15.2 -5.1 12.7 87 88 A N T <<5 - 0 0 132 -3,-0.8 -3,-0.2 -4,-0.7 -55,-0.2 0.910 33.2-158.8 48.0 50.3 -16.6 -6.8 9.6 88 89 A S < - 0 0 6 -5,-1.7 -55,-0.2 -6,-0.2 -1,-0.2 -0.315 19.8-164.0 -61.8 135.3 -13.4 -5.8 7.7 89 90 A D S S+ 0 0 45 -57,-2.0 2,-0.3 1,-0.2 -56,-0.2 0.270 72.2 13.4-104.9 9.2 -13.7 -5.7 3.9 90 91 A F E -j 33 0B 3 -58,-0.8 -56,-1.9 40,-0.1 2,-0.3 -0.903 69.5-127.0-176.6 152.2 -9.9 -5.7 3.2 91 92 A V E -jk 34 132B 0 40,-3.0 42,-2.5 -2,-0.3 2,-0.4 -0.849 10.0-165.9-114.2 147.1 -6.6 -6.2 4.9 92 93 A I E -jk 35 133B 0 -58,-3.1 -56,-3.0 -2,-0.3 2,-0.4 -0.985 9.6-155.9-130.2 118.3 -3.4 -4.2 5.3 93 94 A S E -jk 36 134B 0 40,-2.5 42,-3.2 -2,-0.4 2,-0.4 -0.774 11.3-168.6 -93.9 140.2 -0.1 -5.8 6.5 94 95 A L E +jk 37 135B 0 -58,-2.9 -56,-0.5 -2,-0.4 2,-0.3 -0.931 45.6 19.9-135.7 111.7 2.4 -3.4 8.1 95 96 A G E S- k 0 136B 0 40,-2.3 42,-2.3 -2,-0.4 43,-0.5 -0.993 91.7 -34.1 141.4-148.3 6.0 -4.3 8.9 96 97 A G S > S- 0 0 10 -2,-0.3 4,-1.3 41,-0.2 39,-0.1 -0.007 88.5 -52.9 -93.9-155.4 8.5 -6.9 7.8 97 98 A G H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.825 126.0 60.3 -52.0 -43.7 8.0 -10.5 6.9 98 99 A S H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.941 105.0 45.9 -54.1 -57.4 6.0 -11.6 10.0 99 100 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.881 110.9 56.0 -55.6 -39.3 3.1 -9.3 9.5 100 101 A H H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.932 108.3 43.8 -60.0 -51.0 2.8 -10.1 5.8 101 102 A D H X S+ 0 0 19 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.878 114.1 51.3 -64.4 -38.1 2.5 -13.9 6.2 102 103 A C H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.957 112.1 46.6 -63.7 -47.5 -0.0 -13.5 9.0 103 104 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.892 108.0 56.3 -61.0 -42.4 -2.1 -11.1 6.9 104 105 A K H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.906 111.3 43.6 -56.3 -44.3 -2.0 -13.3 3.9 105 106 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.928 113.2 50.8 -67.8 -46.2 -3.4 -16.2 5.9 106 107 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.946 112.8 46.5 -56.5 -48.5 -6.0 -14.0 7.6 107 108 A A H < S+ 0 0 0 -4,-3.2 23,-3.0 1,-0.2 4,-0.3 0.782 114.3 48.0 -65.8 -29.1 -7.1 -12.7 4.2 108 109 A L H >X S+ 0 0 0 -4,-1.5 4,-1.2 21,-0.3 3,-1.1 0.920 112.9 44.5 -78.9 -46.2 -7.3 -16.1 2.6 109 110 A V H 3< S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.782 102.8 70.2 -68.1 -25.4 -9.2 -17.9 5.4 110 111 A A T 3< S+ 0 0 40 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.695 114.6 22.6 -66.0 -20.1 -11.6 -14.9 5.5 111 112 A T T <4 S+ 0 0 56 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.462 130.4 36.7-124.7 -6.1 -13.1 -15.8 2.1 112 113 A N S < S- 0 0 32 -4,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.815 111.0 -31.2-112.4 -69.2 -12.3 -19.5 1.7 113 114 A G - 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0 0 15 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.637 51.9 -96.7 -80.7 135.2 27.3 -10.0 10.9 336 337 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.053 26.1-124.9 -48.7 151.1 28.6 -12.7 13.3 337 338 A A S S- 0 0 67 1,-0.2 2,-0.3 -3,-0.1 -6,-0.1 0.770 77.6 -20.5 -71.2 -29.9 31.7 -14.6 12.2 338 339 A N S >> S- 0 0 36 1,-0.0 3,-1.0 0, 0.0 4,-0.7 -0.986 73.3 -81.8-169.3 172.4 30.2 -18.1 12.4 339 340 A L H >>>S+ 0 0 0 42,-2.1 5,-1.7 -2,-0.3 4,-0.8 0.752 116.1 70.1 -57.0 -27.4 27.5 -20.4 13.8 340 341 A T H >45S+ 0 0 75 41,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.937 99.6 48.1 -56.9 -45.3 29.5 -20.7 17.1 341 342 A E H <45S+ 0 0 128 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.690 102.0 63.8 -68.3 -20.3 28.6 -17.1 17.8 342 343 A L H <<5S- 0 0 22 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.692 120.3-106.8 -76.3 -19.1 25.0 -17.6 17.0 343 344 A G T <<5 + 0 0 47 -3,-1.1 2,-0.2 -4,-0.8 -3,-0.2 0.709 67.9 150.9 98.5 26.0 24.8 -20.1 19.9 344 345 A A < - 0 0 8 -5,-1.7 2,-0.5 -4,-0.1 -1,-0.3 -0.624 39.2-135.0 -90.4 149.5 24.6 -23.3 17.9 345 346 A K > - 0 0 110 -2,-0.2 3,-2.6 1,-0.1 4,-0.4 -0.912 6.6-141.6-109.5 128.5 25.9 -26.6 19.2 346 347 A K G > S+ 0 0 106 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.802 102.2 65.5 -53.8 -31.1 28.1 -28.8 17.0 347 348 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.500 94.4 60.6 -72.3 -1.7 26.3 -31.8 18.5 348 349 A D G X> S+ 0 0 44 -3,-2.6 4,-2.7 1,-0.1 3,-0.6 0.558 77.1 93.5 -98.3 -11.9 23.1 -30.6 16.9 349 350 A V H <> S+ 0 0 2 -3,-1.4 4,-3.3 -4,-0.4 5,-0.3 0.865 79.5 54.8 -49.7 -47.5 24.5 -30.8 13.3 350 351 A P H 3> S+ 0 0 61 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.914 115.2 40.7 -55.4 -41.5 23.2 -34.4 12.6 351 352 A L H <> S+ 0 0 88 -3,-0.6 4,-1.5 -4,-0.2 -2,-0.2 0.877 116.7 48.3 -73.3 -40.9 19.7 -33.2 13.5 352 353 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -3,-0.2 0.901 110.6 51.2 -67.4 -41.4 20.0 -29.8 11.7 353 354 A A H X S+ 0 0 0 -4,-3.3 4,-1.5 -5,-0.2 -1,-0.2 0.807 107.0 55.4 -66.5 -30.1 21.4 -31.4 8.5 354 355 A D H X S+ 0 0 55 -4,-1.1 4,-0.6 -5,-0.3 -1,-0.2 0.901 111.5 40.9 -70.5 -43.1 18.5 -33.9 8.4 355 356 A H H X S+ 0 0 50 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.698 108.1 62.8 -79.0 -18.9 15.8 -31.3 8.5 356 357 A A H >< S+ 0 0 3 -4,-1.4 3,-0.9 1,-0.2 6,-0.3 0.925 103.5 48.0 -69.4 -44.3 17.7 -29.1 6.1 357 358 A L H 3< S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 109.7 54.8 -67.2 -22.5 17.5 -31.7 3.4 358 359 A K H 3< S+ 0 0 141 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.659 86.4 107.5 -84.0 -16.6 13.8 -32.1 4.1 359 360 A D S X< S- 0 0 32 -3,-0.9 3,-1.3 -4,-0.7 4,-0.4 -0.313 77.0-127.3 -64.2 143.2 13.3 -28.3 3.6 360 361 A A G > S+ 0 0 87 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.822 107.8 62.0 -60.1 -33.5 11.4 -27.3 0.4 361 362 A C G > S+ 0 0 16 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.715 89.0 73.0 -66.7 -20.6 14.3 -24.9 -0.5 362 363 A A G X S+ 0 0 4 -3,-1.3 3,-1.2 -6,-0.3 -1,-0.2 0.808 81.9 69.6 -64.5 -31.8 16.7 -27.8 -0.7 363 364 A L G < S+ 0 0 139 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.782 101.4 43.2 -59.5 -32.6 15.2 -29.1 -4.0 364 365 A T G < S+ 0 0 16 -3,-0.8 -159,-1.8 -4,-0.3 -1,-0.2 0.388 79.3 120.9 -98.9 4.8 16.5 -26.3 -6.1 365 366 A N < - 0 0 1 -3,-1.2 -106,-0.1 -4,-0.3 -161,-0.1 -0.469 67.6-130.1 -66.1 137.6 20.0 -26.0 -4.7 366 367 A P S S+ 0 0 25 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.842 93.7 53.5 -60.2 -33.4 22.4 -26.5 -7.6 367 368 A R S S- 0 0 64 -72,-0.0 2,-0.6 2,-0.0 -107,-0.1 -0.906 75.4-154.0-107.6 126.0 24.4 -29.1 -5.7 368 369 A Q + 0 0 114 -2,-0.5 2,-0.3 -4,-0.1 -5,-0.1 -0.864 20.1 178.0-100.7 124.5 22.6 -32.0 -4.1 369 370 A G - 0 0 16 -2,-0.6 2,-0.1 1,-0.1 -2,-0.0 -0.801 21.0-126.1-123.7 166.7 24.2 -33.6 -1.1 370 371 A D > - 0 0 87 -2,-0.3 4,-1.9 1,-0.0 5,-0.2 -0.292 46.7 -78.8 -98.1-174.6 23.5 -36.4 1.4 371 372 A Q H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 127.3 49.3 -51.2 -52.4 23.4 -36.4 5.2 372 373 A K H > S+ 0 0 163 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.968 109.5 48.4 -52.9 -65.4 27.2 -36.5 5.5 373 374 A E H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.804 113.4 48.4 -47.3 -38.4 28.0 -33.7 3.2 374 375 A V H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.948 108.6 52.3 -71.0 -47.3 25.4 -31.4 4.8 375 376 A E H X S+ 0 0 54 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.887 112.0 48.3 -53.3 -40.5 26.6 -32.2 8.4 376 377 A E H X S+ 0 0 127 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.927 107.6 54.4 -66.1 -44.8 30.1 -31.3 7.2 377 378 A L H X S+ 0 0 7 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.939 110.2 47.3 -53.7 -50.5 28.8 -28.0 5.6 378 379 A F H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 4,-0.3 0.958 112.3 48.2 -55.3 -55.8 27.3 -27.0 8.9 379 380 A L H >< S+ 0 0 63 -4,-2.3 3,-2.3 1,-0.3 -1,-0.2 0.884 105.8 56.9 -54.0 -43.9 30.4 -27.8 10.9 380 381 A S H 3< S+ 0 0 71 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.668 100.5 62.8 -63.3 -14.1 32.6 -25.9 8.5 381 382 A A T << 0 0 0 -3,-1.8 -42,-2.1 -4,-0.6 -41,-0.3 0.524 360.0 360.0 -87.6 -7.9 30.3 -23.0 9.3 382 383 A F < 0 0 39 -3,-2.3 -37,-0.0 -4,-0.3 -3,-0.0 -0.231 360.0 360.0 -82.5 360.0 31.3 -23.0 13.0 383 !* 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 0.0 384 2 B A 0 0 133 0, 0.0 -368,-0.1 0, 0.0 -369,-0.0 0.000 360.0 360.0 360.0 136.4 10.5 10.2 -7.8 385 3 B S - 0 0 59 -370,-0.4 2,-0.3 -371,-0.1 -371,-0.3 -0.169 360.0-160.1 -60.2 158.1 8.2 7.5 -6.5 386 4 B S E -H 13 0B 21 -373,-2.9 -373,-2.9 2,-0.0 2,-0.4 -0.888 16.8-143.1-140.3 170.8 7.2 4.8 -9.0 387 5 B T E -H 12 0B 28 -2,-0.3 2,-0.6 251,-0.2 -375,-0.2 -0.999 8.5-155.7-137.5 132.4 4.6 2.1 -9.8 388 6 B F E -H 11 0B 5 -377,-2.3 -377,-1.3 -2,-0.4 2,-0.3 -0.956 14.7-168.1-113.4 114.8 5.3 -1.3 -11.4 389 7 B Y E +H 10 0B 14 -2,-0.6 -379,-0.2 -379,-0.2 -380,-0.1 -0.827 22.0 136.8-103.6 142.5 2.3 -2.9 -13.1 390 8 B I - 0 0 0 -381,-1.4 139,-0.1 -2,-0.3 161,-0.1 -0.932 56.8 -83.7-176.5 151.9 2.2 -6.5 -14.3 391 9 B P - 0 0 0 0, 0.0 162,-0.1 0, 0.0 163,-0.1 -0.356 36.3-129.1 -64.2 147.9 -0.2 -9.5 -14.4 392 10 B F S S+ 0 0 26 160,-0.2 -385,-1.4 161,-0.2 2,-0.4 0.710 96.1 38.9 -74.0 -13.6 -0.1 -11.5 -11.1 393 11 B V E +Ab 6 554A 0 160,-0.7 162,-1.9 -387,-0.2 2,-0.4 -0.989 65.3 177.8-136.9 123.6 0.4 -14.7 -13.1 394 12 B N E -Ab 5 555A 0 -389,-1.3 -389,-2.9 -2,-0.4 2,-0.4 -0.924 12.7-158.2-133.0 108.1 2.6 -15.0 -16.2 395 13 B E E +Ab 4 556A 3 160,-2.7 162,-2.6 -2,-0.4 2,-0.3 -0.706 19.8 175.2 -87.4 130.2 2.9 -18.5 -17.9 396 14 B M E +Ab 3 557A 3 -393,-2.9 -393,-2.9 -2,-0.4 -394,-0.3 -0.938 26.7 35.4-137.7 156.9 6.0 -19.0 -20.1 397 15 B G S > S- 0 0 1 160,-1.9 3,-2.6 -2,-0.3 4,-0.3 -0.047 94.5 -33.3 92.5 164.8 7.8 -21.6 -22.1 398 16 B E T 3 S+ 0 0 100 1,-0.3 -2,-0.1 160,-0.2 160,-0.1 -0.380 132.7 22.2 -58.9 122.7 6.8 -24.6 -24.2 399 17 B G T 3> S+ 0 0 20 -2,-0.2 4,-2.1 -397,-0.1 -1,-0.3 0.268 83.9 117.6 100.9 -11.1 3.7 -26.1 -22.6 400 18 B S H <> S+ 0 0 2 -3,-2.6 4,-2.6 1,-0.2 5,-0.2 0.796 73.0 59.7 -60.1 -26.3 2.6 -22.9 -20.8 401 19 B L H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.973 106.3 43.0 -65.7 -54.9 -0.5 -22.9 -23.0 402 20 B E H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 116.1 50.8 -56.7 -43.0 -1.8 -26.3 -21.8 403 21 B K H X S+ 0 0 53 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.932 108.9 49.4 -61.3 -49.3 -0.8 -25.4 -18.2 404 22 B A H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.9 46.6 -60.3 -38.8 -2.7 -22.0 -18.3 405 23 B I H >< S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.910 109.5 52.8 -71.3 -41.9 -5.8 -23.7 -19.7 406 24 B K H >< S+ 0 0 116 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.802 99.5 64.1 -64.4 -28.2 -5.8 -26.6 -17.2 407 25 B D T 3< S+ 0 0 44 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.585 85.3 74.6 -71.4 -8.6 -5.6 -24.1 -14.3 408 26 B L T X + 0 0 16 -3,-1.6 3,-2.5 -4,-0.2 4,-0.4 0.659 68.5 115.4 -76.8 -13.6 -9.0 -22.8 -15.4 409 27 B N T < S+ 0 0 108 -3,-1.5 32,-0.1 1,-0.3 -3,-0.0 -0.378 86.9 10.6 -58.6 119.9 -10.4 -26.0 -13.8 410 28 B G T 3 S+ 0 0 70 -2,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.596 95.2 114.0 85.4 10.8 -12.6 -24.9 -10.9 411 29 B S S < S- 0 0 51 -3,-2.5 -2,-0.1 2,-0.2 3,-0.1 0.699 82.4-123.4 -84.7 -22.1 -12.4 -21.3 -11.9 412 30 B G + 0 0 56 -4,-0.4 2,-0.2 1,-0.3 -3,-0.1 0.295 63.8 138.9 97.0 -9.7 -16.1 -21.2 -12.6 413 31 B F + 0 0 48 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.514 15.4 160.5 -72.9 134.5 -15.7 -20.0 -16.2 414 32 B K + 0 0 124 -2,-0.2 29,-2.9 1,-0.2 2,-0.4 0.595 63.1 44.0-125.9 -26.4 -18.0 -21.7 -18.7 415 33 B N E -c 443 0A 43 27,-0.2 57,-2.3 55,-0.1 58,-1.3 -0.894 64.4-171.5-131.8 106.1 -18.1 -19.4 -21.8 416 34 B A E -cd 444 473A 0 27,-2.3 29,-2.6 -2,-0.4 2,-0.7 -0.765 16.6-144.8 -98.2 136.1 -15.0 -17.9 -23.1 417 35 B L E -cd 445 474A 0 56,-3.0 58,-2.8 -2,-0.4 2,-0.7 -0.885 17.5-153.6 -96.4 114.2 -14.9 -15.2 -25.8 418 36 B I E -cd 446 475A 0 27,-3.4 29,-2.8 -2,-0.7 2,-0.5 -0.823 8.3-166.2 -93.1 118.1 -11.8 -15.9 -27.9 419 37 B V E +cd 447 476A 0 56,-2.6 58,-2.9 -2,-0.7 2,-0.3 -0.914 29.5 134.1-103.9 124.3 -10.6 -12.6 -29.6 420 38 B S E - 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0 0 5 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.910 42.9-152.8-109.0 124.0 -15.4 -24.7 -21.0 443 61 B N E -c 415 0A 77 -29,-2.9 -27,-2.3 -2,-0.5 2,-0.3 -0.270 14.6-163.4 -82.3 175.8 -17.3 -23.6 -24.0 444 62 B S E -c 416 0A 20 -29,-0.2 2,-0.4 -2,-0.1 -27,-0.2 -0.985 18.2-151.5-163.1 152.0 -16.2 -20.7 -26.3 445 63 B A E -c 417 0A 9 -29,-2.6 -27,-3.4 -2,-0.3 2,-0.4 -0.939 24.5-137.0-122.4 145.6 -17.3 -18.2 -28.9 446 64 B V E -c 418 0A 50 -2,-0.4 2,-0.5 -29,-0.2 -27,-0.2 -0.896 20.2-178.2-116.4 136.6 -14.9 -16.8 -31.5 447 65 B Y E +c 419 0A 10 -29,-2.8 -27,-2.1 -2,-0.4 3,-0.2 -0.916 12.6 163.9-126.5 100.4 -14.5 -13.3 -32.9 448 66 B D E + 0 0 60 -2,-0.5 -26,-0.2 -29,-0.2 -23,-0.1 0.151 43.6 108.0-103.9 18.9 -11.7 -13.2 -35.5 449 67 B G E + 0 0 28 -28,-0.1 2,-0.4 9,-0.1 -1,-0.2 0.271 46.5 123.1 -79.9 13.8 -12.6 -9.9 -37.0 450 68 B V E +c 421 0A 5 -30,-1.2 -28,-0.6 -3,-0.2 31,-0.1 -0.639 35.8 176.3 -81.1 126.0 -9.6 -8.2 -35.5 451 69 B M - 0 0 129 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.747 45.0 -66.4-119.7 169.6 -7.2 -6.5 -37.9 452 70 B P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.258 120.0 29.6 -57.6 145.5 -4.0 -4.5 -37.3 453 71 B N S S- 0 0 19 1,-0.1 -2,-0.1 -3,-0.1 81,-0.1 0.998 98.0-126.2 64.9 72.6 -4.7 -1.2 -35.5 454 72 B P - 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0 0 28 -4,-1.4 -1,-0.2 -5,-0.4 -53,-0.2 -0.234 18.2 -89.6 76.5-170.9 6.7 4.1 -20.8 641 259 B L - 0 0 8 1,-0.1 2,-0.2 -4,-0.1 -61,-0.0 0.055 32.5-141.7-113.8-141.8 8.2 4.8 -24.3 642 260 B G > - 0 0 1 106,-0.1 4,-2.0 -55,-0.1 3,-0.2 -0.717 50.3 -37.0-159.0-148.2 9.4 7.8 -26.4 643 261 B Y H > S+ 0 0 2 -2,-0.2 4,-2.5 2,-0.2 5,-0.4 0.762 118.2 66.2 -66.7 -29.4 9.6 9.4 -29.8 644 262 B V H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.956 114.0 31.7 -58.6 -48.9 10.1 6.2 -31.7 645 263 B H H > S+ 0 0 2 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.837 113.3 61.6 -76.8 -34.2 6.6 5.1 -30.8 646 264 B A H < S+ 0 0 1 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.932 117.9 31.7 -56.0 -45.0 5.1 8.6 -30.7 647 265 B M H >X S+ 0 0 1 -4,-2.5 3,-2.1 2,-0.2 4,-1.6 0.952 116.7 54.6 -76.5 -54.0 6.0 8.8 -34.4 648 266 B A H 3X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.4 5,-0.3 0.799 100.4 62.7 -51.1 -34.4 5.5 5.2 -35.4 649 267 B H H 3X S+ 0 0 12 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.800 105.8 47.4 -62.4 -28.4 2.0 5.3 -34.0 650 268 B Q H <4 S+ 0 0 28 -3,-2.1 5,-0.3 -4,-0.4 4,-0.3 0.931 110.1 48.1 -78.9 -49.6 1.2 7.9 -36.6 651 269 B L H >X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 3,-0.8 0.908 117.9 43.6 -57.3 -43.8 2.7 6.2 -39.7 652 270 B G H 3X>S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 5,-0.7 0.917 115.5 46.8 -69.2 -43.2 0.9 3.0 -38.8 653 271 B G H 3<5S+ 0 0 32 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.219 120.0 38.9 -85.7 15.2 -2.4 4.7 -37.9 654 272 B Y H <45S+ 0 0 112 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.2 0.575 127.8 28.7-128.0 -38.2 -2.4 6.8 -41.0 655 273 B Y H <5S- 0 0 43 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.347 105.1-121.9-104.3 1.3 -1.0 4.6 -43.7 656 274 B N T <5 + 0 0 115 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.2 0.952 56.2 160.4 54.7 53.2 -2.4 1.5 -41.9 657 275 B L < - 0 0 24 -5,-0.7 -1,-0.2 -6,-0.4 2,-0.1 -0.625 49.4 -79.3-101.3 162.0 1.1 -0.0 -41.7 658 276 B P > - 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.377 32.5-137.1 -62.6 134.3 2.3 -2.7 -39.3 659 277 B H H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.956 100.8 55.0 -53.7 -52.5 3.1 -1.4 -35.9 660 278 B G H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 108.4 42.5 -48.9 -55.3 6.2 -3.5 -35.7 661 279 B V H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.772 107.2 61.6 -68.4 -28.4 8.0 -2.4 -38.9 662 280 B C H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.915 109.2 41.2 -64.9 -43.2 7.2 1.3 -38.4 663 281 B N H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.890 111.2 60.4 -69.2 -38.0 9.1 1.4 -35.1 664 282 B A H < S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.893 109.4 39.1 -56.1 -46.0 11.8 -0.8 -36.8 665 283 B V H < S+ 0 0 10 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.818 119.6 46.6 -76.8 -30.1 12.6 1.8 -39.5 666 284 B L H >X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 3,-0.7 0.842 90.7 83.7 -79.8 -36.0 12.3 4.8 -37.2 667 285 B L H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.2 0.817 88.8 47.5 -35.5 -62.7 14.4 3.5 -34.3 668 286 B P H 3> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.876 113.3 49.0 -52.0 -43.8 17.9 4.4 -35.6 669 287 B H H <> S+ 0 0 58 -3,-0.7 4,-1.7 -4,-0.4 -2,-0.2 0.867 112.2 47.2 -66.5 -39.0 16.9 7.9 -36.5 670 288 B V H X S+ 0 0 0 -4,-2.0 4,-2.5 -3,-0.2 -1,-0.2 0.886 109.9 54.0 -71.3 -37.2 15.3 8.6 -33.2 671 289 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.935 107.8 49.3 -61.3 -45.7 18.3 7.2 -31.3 672 290 B A H X S+ 0 0 42 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.910 111.0 51.4 -58.8 -41.3 20.6 9.5 -33.1 673 291 B Y H >< S+ 0 0 26 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.899 116.8 39.0 -61.3 -43.1 18.2 12.4 -32.2 674 292 B N H >X S+ 0 0 3 -4,-2.5 3,-2.8 1,-0.2 4,-2.4 0.686 94.3 84.6 -81.5 -20.6 18.3 11.4 -28.6 675 293 B A H 3X S+ 0 0 22 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.777 79.6 67.2 -53.0 -28.2 22.0 10.5 -28.5 676 294 B S H << S+ 0 0 84 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.600 116.5 24.7 -69.5 -10.3 22.7 14.2 -27.9 677 295 B V H <4 S+ 0 0 83 -3,-2.8 -2,-0.2 73,-0.0 -1,-0.2 0.641 134.3 29.8-123.7 -31.9 21.1 13.8 -24.5 678 296 B V H X + 0 0 16 -4,-2.4 4,-2.5 -7,-0.2 5,-0.2 -0.134 69.9 133.0-125.0 38.3 21.4 10.1 -23.5 679 297 B A H X S+ 0 0 20 -4,-0.8 4,-2.0 1,-0.2 5,-0.1 0.911 75.1 52.3 -53.8 -45.8 24.6 9.1 -25.3 680 298 B G H > S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.911 110.9 44.4 -59.6 -46.4 25.8 7.3 -22.1 681 299 B R H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 109.3 56.8 -68.9 -33.6 22.7 5.2 -21.6 682 300 B L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.904 105.7 52.2 -62.6 -37.5 22.6 4.4 -25.3 683 301 B K H X S+ 0 0 32 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.856 103.0 58.5 -64.9 -35.1 26.1 3.0 -24.8 684 302 B D H X S+ 0 0 63 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.929 106.3 48.5 -59.0 -45.2 24.8 0.9 -21.8 685 303 B V H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.915 109.1 52.5 -61.6 -43.9 22.4 -0.7 -24.2 686 304 B G H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.884 109.0 49.7 -60.0 -39.5 25.1 -1.4 -26.7 687 305 B V H ><5S+ 0 0 65 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.922 109.5 51.3 -64.5 -43.5 27.3 -3.1 -24.0 688 306 B A H 3<5S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.875 106.3 56.4 -59.4 -37.1 24.3 -5.2 -23.0 689 307 B M T 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.465 123.7-107.7 -74.6 -2.2 24.0 -6.1 -26.7 690 308 B G T < 5 + 0 0 49 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.541 63.0 157.9 89.0 7.9 27.6 -7.4 -26.6 691 309 B L < - 0 0 42 -5,-2.5 2,-1.8 -6,-0.2 3,-0.4 -0.348 50.1-121.4 -67.4 145.5 29.2 -4.5 -28.6 692 310 B D S S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 -0.549 82.3 106.3 -86.0 71.1 32.9 -4.0 -28.2 693 311 B I > + 0 0 7 -2,-1.8 3,-2.4 -10,-0.1 -1,-0.2 0.310 31.1 110.5-131.6 4.1 32.5 -0.4 -27.0 694 312 B A T 3 S+ 0 0 62 -3,-0.4 -2,-0.1 1,-0.3 7,-0.1 0.810 86.1 45.9 -52.3 -33.5 33.1 -0.6 -23.3 695 313 B N T 3 S+ 0 0 169 6,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.315 95.7 98.8 -94.3 8.0 36.4 1.4 -23.8 696 314 B L S < S- 0 0 53 -3,-2.4 -3,-0.1 1,-0.1 -13,-0.0 -0.550 81.0-105.4 -92.0 159.4 34.8 4.0 -26.1 697 315 B G > - 0 0 43 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.275 41.6-100.7 -71.9 170.8 33.7 7.4 -25.0 698 316 B D H > S+ 0 0 86 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.923 121.0 53.0 -62.5 -43.8 29.9 7.9 -24.7 699 317 B K H > S+ 0 0 182 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.952 115.9 39.1 -55.8 -52.8 29.6 9.6 -28.0 700 318 B E H > S+ 0 0 123 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.927 115.3 52.7 -63.0 -47.4 31.4 6.9 -29.9 701 319 B G H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.918 112.2 46.1 -54.7 -45.3 29.8 4.1 -27.9 702 320 B A H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.940 113.7 47.2 -63.2 -50.5 26.3 5.6 -28.7 703 321 B E H X S+ 0 0 87 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.865 112.4 50.8 -61.1 -35.7 27.1 6.0 -32.4 704 322 B A H X S+ 0 0 35 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.837 109.7 51.0 -70.0 -32.8 28.5 2.5 -32.5 705 323 B T H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.950 110.1 48.4 -67.2 -49.2 25.3 1.2 -30.8 706 324 B I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.895 110.1 52.2 -57.8 -41.8 23.1 3.0 -33.3 707 325 B Q H X S+ 0 0 76 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.886 106.8 54.0 -62.5 -37.8 25.2 1.5 -36.1 708 326 B A H X S+ 0 0 21 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.882 106.8 50.9 -64.3 -38.1 24.7 -1.9 -34.6 709 327 B V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.918 110.1 49.9 -65.5 -41.0 20.9 -1.4 -34.7 710 328 B R H X S+ 0 0 79 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 112.0 48.1 -62.1 -43.9 21.2 -0.4 -38.4 711 329 B D H X S+ 0 0 93 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.899 111.2 49.1 -64.9 -42.9 23.2 -3.5 -39.2 712 330 B L H X S+ 0 0 22 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.954 110.7 51.8 -61.2 -47.0 20.9 -5.8 -37.3 713 331 B A H <>S+ 0 0 12 -4,-2.6 5,-2.6 1,-0.2 3,-0.4 0.888 111.8 45.9 -56.3 -42.2 17.9 -4.3 -39.2 714 332 B A H ><5S+ 0 0 74 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.921 106.5 59.2 -68.2 -42.5 19.6 -4.8 -42.5 715 333 B S H 3<5S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.733 112.0 40.0 -59.3 -25.2 20.6 -8.4 -41.7 716 334 B I T 3<5S- 0 0 3 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.218 118.8-105.8-110.7 14.3 17.0 -9.3 -41.1 717 335 B G T < 5 + 0 0 58 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.774 51.8 169.2 73.3 31.3 15.5 -7.4 -44.0 718 336 B I < - 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0 0 18 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.0 -0.543 51.1 -92.5 -71.5 134.4 -14.2 -2.1 -104.6 1484 337 D P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.161 34.2-125.9 -47.4 139.0 -15.5 0.5 -107.1 1485 338 D A S S- 0 0 73 -3,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.750 75.2 -13.7 -61.6 -30.8 -12.9 3.3 -107.6 1486 339 D N S > S- 0 0 37 1,-0.0 4,-1.3 -55,-0.0 44,-0.2 -0.972 71.9 -88.2-163.0 176.0 -15.2 6.2 -106.8 1487 340 D L H >>S+ 0 0 0 42,-3.0 5,-2.1 -2,-0.3 4,-1.7 0.727 115.5 66.5 -67.1 -23.6 -18.7 7.5 -106.4 1488 341 D T H >45S+ 0 0 76 41,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.968 105.3 42.3 -61.7 -50.8 -19.1 8.2 -110.1 1489 342 D E H 345S+ 0 0 125 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.829 108.4 62.8 -63.5 -31.0 -19.0 4.5 -110.8 1490 343 D L H 3<5S- 0 0 21 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.857 118.8-112.5 -61.8 -35.8 -21.3 4.1 -107.8 1491 344 D G T <<5 + 0 0 39 -4,-1.7 -3,-0.2 -3,-0.6 -2,-0.1 0.375 65.6 147.8 115.9 -0.5 -23.9 6.1 -109.6 1492 345 D A < - 0 0 4 -5,-2.1 2,-0.4 1,-0.1 -1,-0.3 -0.252 37.7-140.4 -63.4 155.2 -23.8 9.1 -107.3 1493 346 D K > - 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0 0 1 -3,-1.6 -106,-0.1 -4,-0.3 -161,-0.1 -0.389 69.7-125.6 -60.8 138.8 -16.8 12.0 -85.6 1514 367 D P S S+ 0 0 22 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.727 97.0 49.1 -59.6 -20.0 -13.4 13.2 -84.1 1515 368 D R S S- 0 0 72 -72,-0.0 2,-0.7 -73,-0.0 -107,-0.1 -0.982 73.8-149.9-128.0 129.0 -13.8 16.3 -86.3 1516 369 D Q + 0 0 118 -2,-0.4 2,-0.2 -4,-0.1 -5,-0.1 -0.848 26.7 169.1 -99.7 111.1 -16.8 18.6 -86.6 1517 370 D G - 0 0 16 -2,-0.7 2,-0.2 1,-0.1 -2,-0.0 -0.452 26.8-108.6-108.6-175.4 -17.1 20.3 -89.9 1518 371 D D > - 0 0 76 -2,-0.2 4,-2.3 1,-0.0 3,-0.5 -0.620 38.0 -89.0-113.4 174.0 -19.9 22.2 -91.7 1519 372 D Q H > S+ 0 0 57 1,-0.2 4,-1.0 -2,-0.2 5,-0.1 0.797 127.0 49.5 -48.9 -33.2 -22.3 21.8 -94.5 1520 373 D K H > S+ 0 0 153 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.870 108.2 49.6 -78.0 -39.0 -19.7 23.1 -96.9 1521 374 D E H > S+ 0 0 44 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.896 110.8 51.0 -66.5 -39.8 -16.8 21.0 -95.7 1522 375 D V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.836 105.3 55.4 -67.2 -32.9 -18.8 17.8 -96.0 1523 376 D E H X S+ 0 0 40 -4,-1.0 4,-2.1 -5,-0.3 -1,-0.2 0.869 107.0 52.6 -66.4 -34.5 -19.9 18.7 -99.5 1524 377 D E H X S+ 0 0 125 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.941 106.4 52.0 -64.6 -49.0 -16.2 18.9 -100.3 1525 378 D L H < S+ 0 0 16 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.941 109.8 49.3 -52.7 -52.1 -15.6 15.4 -98.9 1526 379 D F H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.932 111.8 47.1 -54.0 -51.5 -18.3 14.0 -101.1 1527 380 D L H >< S+ 0 0 74 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.748 102.4 64.4 -65.2 -23.8 -17.1 15.6 -104.3 1528 381 D S T 3< S+ 0 0 61 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.605 100.0 55.5 -74.8 -9.3 -13.5 14.5 -103.5 1529 382 D A T < 0 0 1 -3,-1.6 -42,-3.0 -4,-0.5 -41,-0.4 0.393 360.0 360.0-102.8 0.4 -14.8 10.9 -103.9 1530 383 D F < 0 0 46 -3,-1.1 -37,-0.0 -44,-0.2 -3,-0.0 -0.398 360.0 360.0 -78.2 360.0 -16.2 11.2 -107.4