==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-APR-03 1P74 . COMPND 2 MOLECULE: SHIKIMATE 5-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.YE,F.VON DELFT,A.BROOUN,M.W.KNUTH,R.V.SWANSON,D.E.MCREE . 533 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.4 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 . 2 0.4 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 . 2 0.4 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 . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 0 1 2 3 5 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 4 0 2 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 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 . 0 0 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 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 145 0, 0.0 30,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 104.0 11.8 82.8 100.5 2 2 A D E -a 31 0A 58 28,-1.5 30,-2.2 53,-0.1 2,-0.4 -0.478 360.0-137.9 -64.8 131.9 13.8 81.8 97.4 3 3 A L E +a 32 0A 37 51,-0.3 53,-2.2 -2,-0.2 54,-0.9 -0.786 27.2 170.0-100.3 133.8 12.8 84.1 94.5 4 4 A Y E +ab 33 57A 5 28,-1.8 30,-2.5 -2,-0.4 2,-0.3 -0.937 5.9 177.6-133.8 161.6 12.1 83.0 91.0 5 5 A A E -ab 34 58A 0 52,-0.9 54,-3.1 -2,-0.3 2,-0.5 -0.975 31.3-120.9-155.5 167.9 10.6 84.8 88.0 6 6 A V E -ab 35 59A 0 28,-1.7 30,-2.9 -2,-0.3 2,-0.5 -0.978 29.5-152.8-111.9 128.3 9.7 84.7 84.4 7 7 A W E +ab 36 60A 7 52,-3.1 54,-2.5 -2,-0.5 2,-0.3 -0.920 35.7 123.6-106.8 122.8 11.5 87.4 82.3 8 8 A G E -a 37 0A 0 28,-1.7 30,-1.9 -2,-0.5 3,-0.3 -0.936 52.2-109.4-159.7 179.8 9.7 88.6 79.2 9 9 A N S S+ 0 0 47 53,-1.9 2,-0.2 1,-0.9 28,-0.0 -0.604 113.3 22.0-168.2 101.6 8.4 91.6 77.2 10 10 A P S S+ 0 0 81 0, 0.0 -1,-0.9 0, 0.0 52,-0.0 0.561 84.5 154.9 -75.4 168.9 5.5 91.6 77.1 11 11 A I > + 0 0 9 -3,-0.3 3,-2.5 -2,-0.2 -2,-0.1 0.524 44.7 93.1-133.9 -16.6 5.1 89.4 80.2 12 12 A A T 3 S+ 0 0 99 1,-0.3 23,-0.0 3,-0.0 25,-0.0 0.639 85.9 57.3 -60.4 -14.7 1.6 90.2 81.6 13 13 A Q T 3 S+ 0 0 114 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.556 80.3 119.0 -94.0 -5.4 0.1 87.4 79.6 14 14 A S < - 0 0 29 -3,-2.5 4,-0.2 1,-0.1 21,-0.1 -0.317 45.5-167.1 -65.6 137.5 2.4 84.7 81.2 15 15 A K > + 0 0 57 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.374 66.3 99.3-101.5 1.5 0.8 81.9 83.1 16 16 A S H > S+ 0 0 24 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.948 78.8 52.4 -52.3 -54.2 4.1 80.8 84.6 17 17 A P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 111.6 48.1 -52.5 -39.7 3.5 82.6 87.9 18 18 A L H > S+ 0 0 117 -4,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.903 116.5 41.5 -68.8 -41.3 0.2 80.9 88.2 19 19 A I H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.929 115.2 49.3 -72.5 -44.3 1.6 77.4 87.4 20 20 A Q H X S+ 0 0 4 -4,-3.6 4,-2.6 -5,-0.2 5,-0.2 0.925 108.2 51.7 -64.6 -44.6 4.8 77.7 89.4 21 21 A N H X S+ 0 0 65 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.878 111.1 49.6 -61.9 -33.9 3.1 78.9 92.6 22 22 A K H X S+ 0 0 74 -4,-1.1 4,-2.4 -5,-0.2 -1,-0.2 0.917 110.1 50.3 -68.3 -41.8 0.7 76.0 92.4 23 23 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.886 110.8 50.2 -62.5 -36.7 3.7 73.6 91.9 24 24 A A H <>S+ 0 0 5 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.890 110.2 49.6 -69.0 -39.9 5.4 75.1 94.9 25 25 A A H ><5S+ 0 0 72 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.926 107.6 52.9 -66.3 -43.6 2.3 74.7 97.1 26 26 A Q H 3<5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 117.2 38.4 -66.4 -27.5 1.8 71.1 96.2 27 27 A T T 3<5S- 0 0 20 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.281 110.4-119.3-105.4 9.8 5.4 70.2 97.1 28 28 A H T < 5 + 0 0 162 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.836 51.9 165.0 61.5 37.8 5.6 72.5 100.1 29 29 A Q < - 0 0 51 -5,-2.6 2,-1.9 -6,-0.1 -1,-0.2 -0.747 41.0-133.3 -90.9 128.7 8.4 74.7 98.8 30 30 A T + 0 0 97 -2,-0.5 -28,-1.5 2,-0.0 2,-0.3 -0.582 66.5 113.1 -77.1 83.4 9.1 78.0 100.5 31 31 A M E -a 2 0A 16 -2,-1.9 2,-0.3 -30,-0.2 -28,-0.2 -0.962 50.6-149.7-149.7 162.5 9.4 80.0 97.3 32 32 A E E -a 3 0A 86 -30,-2.2 -28,-1.8 -2,-0.3 2,-0.4 -0.966 7.5-156.6-135.6 154.3 7.7 82.7 95.3 33 33 A Y E +a 4 0A 12 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.3 -0.982 14.6 177.9-137.4 121.9 7.5 83.3 91.6 34 34 A I E -a 5 0A 59 -30,-2.5 -28,-1.7 -2,-0.4 2,-0.4 -0.859 30.2-116.3-124.0 159.7 6.9 86.7 90.0 35 35 A A E -a 6 0A 47 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.783 30.5-166.0 -91.6 134.0 6.7 88.0 86.4 36 36 A K E -a 7 0A 55 -30,-2.9 -28,-1.7 -2,-0.4 2,-0.8 -0.990 14.4-139.5-125.9 128.7 9.3 90.6 85.6 37 37 A L E -a 8 0A 101 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.787 20.8-146.9 -92.4 111.0 9.2 92.9 82.6 38 38 A G - 0 0 0 -30,-1.9 2,-0.3 -2,-0.8 5,-0.1 -0.575 15.9-117.9 -81.1 135.2 12.6 93.2 81.0 39 39 A D > - 0 0 76 -2,-0.3 4,-1.6 1,-0.1 7,-0.1 -0.543 25.1-122.6 -69.6 130.8 13.6 96.4 79.3 40 40 A L T 4 S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.669 107.4 22.8 -49.0 -21.5 14.3 95.9 75.6 41 41 A D T 4 S+ 0 0 141 2,-0.1 3,-0.4 3,-0.0 -1,-0.2 0.735 126.8 43.5-115.5 -38.3 17.8 97.2 76.0 42 42 A A T > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.1 3,-0.2 0.256 76.9 112.6 -97.6 11.6 18.8 96.8 79.7 43 43 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.797 75.5 50.4 -38.8 -57.3 17.4 93.4 80.1 44 44 A E H > S+ 0 0 43 -3,-0.4 4,-1.9 2,-0.3 -1,-0.2 0.827 111.5 45.5 -63.4 -48.6 20.8 91.7 80.6 45 45 A Q H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.861 113.0 53.2 -72.2 -26.3 22.0 94.1 83.2 46 46 A Q H X S+ 0 0 67 -4,-2.1 4,-2.4 1,-0.2 -2,-0.3 0.957 107.2 50.9 -74.5 -38.8 18.7 93.8 84.9 47 47 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 110.8 48.7 -65.5 -42.7 18.9 90.0 85.0 48 48 A L H X S+ 0 0 66 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.883 111.3 48.4 -65.7 -41.4 22.4 90.1 86.6 49 49 A A H X S+ 0 0 51 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.964 109.4 55.0 -60.3 -51.5 21.3 92.6 89.2 50 50 A F H <>S+ 0 0 1 -4,-2.4 5,-1.7 1,-0.3 -2,-0.2 0.866 112.0 41.5 -47.9 -47.0 18.3 90.3 89.9 51 51 A F H ><5S+ 0 0 13 -4,-2.1 3,-1.6 1,-0.2 -1,-0.3 0.856 109.6 61.6 -72.5 -31.7 20.6 87.3 90.5 52 52 A E H 3<5S+ 0 0 161 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.846 101.5 51.6 -62.4 -35.8 22.9 89.6 92.4 53 53 A E T 3<5S- 0 0 151 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.391 132.4 -84.8 -84.9 5.1 20.2 90.3 95.0 54 54 A G T < 5 + 0 0 34 -3,-1.6 -51,-0.3 1,-0.3 -3,-0.2 0.345 69.7 152.4 119.0 -11.7 19.5 86.7 95.6 55 55 A A < - 0 0 2 -5,-1.7 -1,-0.3 1,-0.1 -51,-0.2 -0.227 32.5-153.0 -50.9 141.5 17.1 85.2 93.0 56 56 A K - 0 0 62 -53,-2.2 34,-2.9 1,-0.3 2,-0.3 0.597 60.9 -39.4 -95.6 -14.4 17.7 81.5 92.6 57 57 A G E -bC 4 89A 0 -54,-0.9 -52,-0.9 32,-0.3 -1,-0.3 -0.966 53.1-159.8 170.7 176.4 16.5 81.2 89.0 58 58 A C E -bC 5 88A 0 30,-1.9 30,-2.6 -2,-0.3 2,-0.3 -0.987 22.0-106.8-167.2 170.9 13.9 82.1 86.4 59 59 A N E -bC 6 87A 10 -54,-3.1 -52,-3.1 -2,-0.3 2,-0.4 -0.753 29.1-149.5-103.5 158.2 12.2 81.4 83.1 60 60 A I E +b 7 0A 1 26,-1.7 2,-0.2 -2,-0.3 -52,-0.2 -0.994 17.9 168.9-133.4 135.0 12.7 83.4 79.9 61 61 A T > - 0 0 41 -54,-2.5 3,-3.1 -2,-0.4 4,-0.3 -0.652 41.0 -4.6-127.0-171.7 10.4 84.2 77.0 62 62 A S T 3 S+ 0 0 81 1,-0.4 -53,-1.9 -2,-0.2 -1,-0.1 -0.371 120.7 13.0 -62.0 139.4 10.5 86.4 73.9 63 63 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.4 0, 0.0 4,-0.2 -0.812 123.8 54.2-107.8 41.4 12.4 88.3 73.2 64 64 A F <> + 0 0 0 -3,-3.1 4,-3.1 -57,-0.2 5,-0.3 0.464 69.8 99.6-110.6 1.1 15.1 87.2 75.6 65 65 A K H > S+ 0 0 57 -4,-0.3 4,-2.0 1,-0.2 20,-1.0 0.915 90.8 39.7 -55.2 -51.5 15.7 83.5 75.1 66 66 A E H > S+ 0 0 134 18,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.885 117.9 49.8 -67.0 -37.5 18.8 83.8 72.9 67 67 A R H 4 S+ 0 0 72 -4,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.871 109.8 50.2 -69.7 -38.4 20.2 86.7 75.0 68 68 A A H >X S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 4,-0.8 0.911 107.2 55.5 -65.3 -43.2 19.7 84.8 78.3 69 69 A Y H >< S+ 0 0 21 -4,-2.0 3,-0.8 -5,-0.3 -1,-0.2 0.874 102.1 56.0 -56.5 -41.0 21.5 81.8 76.9 70 70 A Q T 3< S+ 0 0 150 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.574 102.2 58.3 -72.3 -8.2 24.6 83.8 76.1 71 71 A L T <4 S+ 0 0 52 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.690 84.8 105.2 -91.9 -21.1 24.8 85.0 79.7 72 72 A A << - 0 0 18 -3,-0.8 25,-0.2 -4,-0.8 3,-0.1 -0.239 53.1-162.1 -62.2 155.1 25.1 81.5 81.1 73 73 A D S S+ 0 0 89 23,-2.1 2,-0.3 1,-0.1 24,-0.2 0.547 84.7 27.1 -98.3 -41.9 28.4 80.0 82.4 74 74 A E E S+d 97 0A 81 22,-2.3 24,-2.4 25,-0.0 2,-0.3 -0.875 73.1 172.0-132.1 140.8 27.1 76.5 82.2 75 75 A Y E -d 98 0A 96 -2,-0.3 24,-0.2 22,-0.2 2,-0.1 -0.903 25.1-115.1-158.3 154.6 24.5 75.0 80.0 76 76 A S > - 0 0 13 22,-2.2 4,-2.3 -2,-0.3 5,-0.2 -0.290 36.3-104.4 -84.5 169.9 22.8 71.7 78.9 77 77 A Q H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.868 121.0 56.2 -60.8 -36.9 22.7 70.0 75.6 78 78 A R H > S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 6,-0.2 0.911 108.0 47.6 -62.7 -40.8 19.1 71.2 75.0 79 79 A A H >>S+ 0 0 0 19,-0.3 5,-1.4 1,-0.2 4,-0.8 0.950 110.4 51.4 -66.7 -46.2 20.2 74.8 75.5 80 80 A K H <5S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.6 50.7 -60.6 -34.6 23.1 74.5 73.2 81 81 A L H <5S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.3 41.0 -75.9 -34.2 21.1 73.0 70.3 82 82 A A H <5S- 0 0 6 -4,-1.4 -1,-0.2 2,-0.3 -2,-0.2 0.502 101.8-134.3 -87.7 -4.9 18.4 75.6 70.3 83 83 A E T <5S+ 0 0 65 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.832 80.8 68.2 53.3 35.0 21.0 78.3 70.8 84 84 A A < - 0 0 13 -5,-1.4 2,-0.3 -6,-0.2 -2,-0.3 -0.968 68.0-145.6-169.0 164.9 18.6 79.6 73.4 85 85 A C - 0 0 0 -20,-1.0 15,-0.3 -2,-0.3 -16,-0.2 -0.980 15.9-164.5-144.3 155.5 17.2 78.7 76.8 86 86 A N S S+ 0 0 8 13,-1.3 -26,-1.7 -2,-0.3 2,-0.4 0.362 79.9 55.8-115.6 2.2 13.9 79.1 78.7 87 87 A T E -CE 59 99A 0 12,-1.8 12,-2.5 -28,-0.3 2,-0.4 -0.992 55.3-176.9-144.5 128.3 15.4 78.3 82.1 88 88 A L E -CE 58 98A 0 -30,-2.6 -30,-1.9 -2,-0.4 2,-0.4 -0.950 6.5-169.9-123.2 143.5 18.2 79.7 84.2 89 89 A K E -CE 57 97A 56 8,-2.3 8,-2.5 -2,-0.4 2,-0.9 -0.993 19.6-136.1-135.9 130.7 19.4 78.4 87.5 90 90 A K E - E 0 96A 53 -34,-2.9 6,-0.2 -2,-0.4 5,-0.1 -0.753 26.6-148.6 -87.3 111.5 21.8 80.0 89.9 91 91 A L - 0 0 44 4,-2.7 -1,-0.0 -2,-0.9 -34,-0.0 -0.197 25.6-104.8 -69.6 166.1 24.1 77.3 91.2 92 92 A D S S+ 0 0 160 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.897 119.3 52.8 -59.7 -44.0 25.7 77.3 94.7 93 93 A D S S- 0 0 110 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.929 124.4 -99.5 -60.2 -45.1 29.1 78.3 93.5 94 94 A G S S+ 0 0 44 1,-0.3 2,-0.2 0, 0.0 -2,-0.1 0.294 76.5 137.4 138.3 0.6 27.7 81.3 91.6 95 95 A K - 0 0 89 -5,-0.1 -4,-2.7 1,-0.1 2,-0.5 -0.474 51.3-128.4 -76.3 143.9 27.5 79.9 88.1 96 96 A L E - E 0 90A 12 -6,-0.2 -22,-2.3 -25,-0.2 -23,-2.1 -0.820 22.9-161.1 -91.9 126.5 24.5 80.5 85.9 97 97 A Y E -dE 74 89A 60 -8,-2.5 -8,-2.3 -2,-0.5 2,-0.4 -0.940 2.6-160.8-114.4 127.9 23.1 77.3 84.3 98 98 A A E +dE 75 88A 0 -24,-2.4 -22,-2.2 -2,-0.5 2,-0.3 -0.839 14.9 165.7-108.1 141.6 20.9 77.4 81.3 99 99 A D E - E 0 87A 8 -12,-2.5 -12,-1.8 -2,-0.4 -13,-1.3 -0.917 28.9-137.1-141.2 167.5 18.5 74.7 80.1 100 100 A N + 0 0 4 -2,-0.3 4,-0.3 -15,-0.3 3,-0.2 -0.915 20.5 176.2-131.3 107.2 15.7 74.6 77.6 101 101 A T > + 0 0 0 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.521 53.4 93.9 -89.0 -6.7 12.7 72.6 78.9 102 102 A D H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 86.6 46.8 -61.7 -43.1 10.2 73.0 76.1 103 103 A G H > S+ 0 0 0 30,-0.8 4,-3.0 -3,-0.2 -1,-0.2 0.896 114.0 48.8 -61.4 -40.2 11.0 69.8 74.1 104 104 A I H > S+ 0 0 28 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.833 108.5 53.8 -72.2 -26.1 10.9 67.8 77.3 105 105 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.929 110.3 49.7 -66.8 -40.3 7.6 69.4 78.2 106 106 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.951 111.4 45.1 -64.7 -49.3 6.5 68.2 74.8 107 107 A V H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.937 111.7 54.2 -61.9 -41.1 7.7 64.6 75.2 108 108 A T H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.935 110.3 45.9 -55.6 -48.7 6.2 64.4 78.7 109 109 A D H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 110.8 52.6 -63.3 -40.0 2.9 65.5 77.4 110 110 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 6,-0.4 0.799 107.5 53.0 -65.1 -28.9 3.1 63.1 74.5 111 111 A Q H ><5S+ 0 0 104 -4,-2.0 3,-1.4 2,-0.2 -2,-0.2 0.947 106.5 51.8 -69.8 -46.0 3.8 60.3 77.0 112 112 A R H 3<5S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.914 113.6 45.0 -54.0 -43.6 0.7 61.2 79.0 113 113 A L T 3<5S- 0 0 36 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.569 108.2-127.8 -75.8 -8.4 -1.2 61.0 75.7 114 114 A N T < 5S+ 0 0 115 -3,-1.4 -3,-0.2 -4,-0.4 3,-0.1 0.830 75.0 123.6 60.3 31.7 0.5 57.7 74.8 115 115 A W < + 0 0 31 -5,-2.6 -4,-0.2 1,-0.1 2,-0.1 0.035 46.1 89.5-105.2 25.1 1.4 59.2 71.4 116 116 A L + 0 0 24 -6,-0.4 -1,-0.1 -5,-0.2 -2,-0.1 -0.399 49.1 160.3-123.0 60.1 5.1 58.6 71.9 117 117 A R > - 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0 0 40 -2,-0.3 3,-0.4 -26,-0.2 -22,-0.2 -0.350 34.0-106.1 -93.6-177.4 22.2 44.5 39.2 502 238 B G S > S+ 0 0 2 -24,-2.0 4,-2.0 1,-0.2 3,-0.3 0.185 84.6 108.3-101.5 17.4 19.0 42.6 38.3 503 239 B F H > S+ 0 0 4 1,-0.3 4,-1.9 -25,-0.2 -1,-0.2 0.882 81.6 53.4 -59.3 -40.5 20.4 39.2 37.6 504 240 B G H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.833 104.8 54.3 -61.1 -36.5 18.9 37.9 40.8 505 241 B M H > S+ 0 0 9 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.928 106.8 53.2 -64.0 -43.4 15.5 39.3 39.7 506 242 B L H X S+ 0 0 38 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.902 111.2 43.4 -58.5 -46.4 15.8 37.3 36.5 507 243 B V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.882 113.0 54.1 -70.3 -34.6 16.5 34.0 38.2 508 244 B A H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 106.7 49.7 -65.0 -43.6 13.8 34.7 40.8 509 245 B Q H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.899 110.8 51.6 -57.8 -45.0 11.1 35.3 38.1 510 246 B A H X S+ 0 0 6 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.920 108.6 50.2 -61.4 -43.0 12.1 32.1 36.5 511 247 B A H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.885 109.4 51.7 -63.1 -40.0 11.8 30.2 39.8 512 248 B H H X S+ 0 0 38 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.887 110.9 46.5 -65.4 -40.4 8.3 31.6 40.4 513 249 B S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.905 112.8 52.1 -65.8 -38.8 7.1 30.5 36.9 514 250 B F H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.2 6,-0.4 0.932 108.5 49.5 -61.8 -45.6 8.7 27.2 37.6 515 251 B H H X S+ 0 0 84 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.907 110.3 51.1 -61.1 -45.0 6.9 26.9 40.9 516 252 B L H < S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.9 39.9 -57.7 -44.3 3.5 27.7 39.3 517 253 B W H < S+ 0 0 13 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.920 130.0 25.6 -71.3 -43.3 4.1 25.1 36.6 518 254 B R H < S- 0 0 52 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.634 90.8-125.8-102.8 -19.2 5.5 22.3 38.8 519 255 B G S < S+ 0 0 58 -4,-2.8 2,-0.4 -5,-0.3 -4,-0.2 0.656 79.3 102.0 79.5 14.9 4.3 22.8 42.3 520 256 B V - 0 0 51 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.990 65.4-143.0-134.7 125.3 7.9 22.8 43.6 521 257 B M - 0 0 91 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.1 -0.796 23.0-147.1 -85.3 120.6 10.0 25.8 44.6 522 258 B P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.561 37.5 -85.9 -80.0 153.3 13.5 25.1 43.5 523 259 B D > - 0 0 108 -2,-0.2 4,-0.6 1,-0.2 -228,-0.0 -0.505 42.2-155.8 -67.2 124.3 16.2 26.5 45.7 524 260 B F H > S+ 0 0 25 -2,-0.4 4,-1.4 1,-0.1 3,-0.3 0.939 79.2 54.6 -68.6 -49.1 16.6 30.0 44.3 525 261 B V H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 3,-0.2 0.904 96.5 59.2 -52.7 -59.6 20.1 30.8 45.5 526 262 B S H > S+ 0 0 68 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.794 110.0 40.6 -47.1 -46.8 22.3 27.9 44.1 527 263 B V H X S+ 0 0 10 -4,-0.6 4,-2.7 -3,-0.3 5,-0.3 0.895 113.3 55.8 -72.8 -38.0 21.5 28.4 40.4 528 264 B Y H X S+ 0 0 8 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.931 113.5 43.0 -54.8 -46.5 21.8 32.1 40.9 529 265 B E H X S+ 0 0 68 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.970 112.3 48.1 -66.0 -58.2 25.2 31.5 42.3 530 266 B Q H X S+ 0 0 86 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.924 118.4 44.9 -49.6 -44.5 26.5 28.9 39.8 531 267 B L H X S+ 0 0 10 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.955 111.2 51.7 -65.2 -48.8 25.3 31.3 37.1 532 268 B K H X S+ 0 0 71 -4,-3.1 4,-1.4 -5,-0.3 3,-0.5 0.968 113.4 46.2 -48.1 -58.9 26.7 34.3 38.9 533 269 B K H < S+ 0 0 139 -4,-3.6 3,-0.3 1,-0.2 -2,-0.2 0.897 108.1 56.0 -50.1 -50.4 30.1 32.4 39.0 534 270 B A H < S+ 0 0 68 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.869 105.2 51.1 -54.2 -43.1 30.0 31.3 35.4 535 271 B M H < 0 0 40 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.880 360.0 360.0 -65.3 -38.5 29.6 34.8 34.0 536 272 B L < 0 0 154 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.812 360.0 360.0-105.9 360.0 32.5 36.2 35.9