==== 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 20-JUN-03 1PR9 . COMPND 2 MOLECULE: L-XYLULOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.EL-KABBANI,S.ISHIKURA,C.DARMANIN,V.CARBONE,R.P.-T.CHUNG,N. . 488 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 34 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 0 0 4 0 2 2 3 1 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 160 0, 0.0 2,-0.2 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 104.6 30.6 90.7 36.4 2 2 A E + 0 0 119 1,-0.2 224,-0.0 2,-0.1 0, 0.0 -0.353 360.0 171.9 -58.9 117.4 31.6 93.1 39.1 3 3 A L - 0 0 37 -2,-0.2 222,-0.5 221,-0.1 -1,-0.2 0.322 36.7-138.2-107.9 2.5 28.8 93.5 41.5 4 4 A F + 0 0 103 220,-0.1 221,-0.1 1,-0.1 -2,-0.1 0.865 52.5 142.2 44.6 59.9 31.0 95.5 43.9 5 5 A L > + 0 0 7 25,-0.1 3,-2.3 2,-0.1 -1,-0.1 0.752 31.9 113.4 -96.8 -24.7 30.0 94.0 47.2 6 6 A A T 3 S+ 0 0 65 1,-0.3 26,-0.3 24,-0.2 25,-0.2 -0.107 81.1 18.2 -49.2 139.9 33.5 94.1 48.8 7 7 A G T 3 S+ 0 0 51 24,-1.8 -1,-0.3 1,-0.2 2,-0.2 0.185 96.1 115.1 80.1 -17.7 33.7 96.5 51.7 8 8 A R < - 0 0 49 -3,-2.3 25,-2.8 1,-0.1 2,-0.7 -0.553 67.0-120.4 -89.6 160.0 30.0 96.9 52.3 9 9 A R E -a 33 0A 16 23,-0.2 69,-2.5 -2,-0.2 70,-1.5 -0.809 32.3-170.3 -95.1 117.9 28.3 95.7 55.5 10 10 A V E -ab 34 79A 0 23,-3.6 25,-2.8 -2,-0.7 2,-0.5 -0.904 12.8-152.6-113.3 135.2 25.6 93.1 54.9 11 11 A L E -ab 35 80A 2 68,-3.0 70,-2.9 -2,-0.4 2,-0.4 -0.903 13.3-173.1-102.7 132.5 23.0 91.8 57.4 12 12 A V E -ab 36 81A 0 23,-2.6 25,-2.6 -2,-0.5 3,-0.4 -0.988 8.5-154.8-124.4 121.4 21.7 88.2 56.8 13 13 A T E S+a 37 0A 5 68,-2.4 70,-0.4 -2,-0.4 25,-0.2 -0.656 80.5 26.3 -95.1 153.9 18.8 86.7 58.9 14 14 A G S > S+ 0 0 14 23,-0.9 3,-0.6 -2,-0.2 6,-0.3 0.868 77.1 152.8 60.4 41.8 18.5 82.9 59.3 15 15 A A T 3 + 0 0 0 22,-2.4 23,-0.2 -3,-0.4 9,-0.1 0.568 47.4 79.5 -79.9 -8.0 22.2 82.7 58.7 16 16 A G T 3 S+ 0 0 1 21,-0.3 2,-0.3 5,-0.0 -1,-0.2 0.815 100.0 11.4 -73.9 -32.0 22.7 79.5 60.7 17 17 A K S X> S- 0 0 103 -3,-0.6 4,-1.8 167,-0.0 3,-0.6 -0.853 104.4 -7.5-137.9 171.6 21.5 76.9 58.2 18 18 A G H 3> S- 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.033 118.6 -1.0 50.1-133.9 20.6 76.4 54.5 19 19 A I H 3> S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 133.4 53.6 -63.1 -39.5 20.3 79.3 52.1 20 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.2 -6,-0.3 -1,-0.2 0.934 109.9 48.0 -61.4 -44.3 21.1 81.9 54.7 21 21 A R H X S+ 0 0 41 -4,-1.8 4,-2.0 -7,-0.3 -2,-0.2 0.907 111.9 49.5 -61.6 -41.4 24.3 80.0 55.6 22 22 A G H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.855 108.9 53.5 -67.2 -32.4 25.3 79.7 52.0 23 23 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.912 106.5 51.4 -68.0 -42.3 24.7 83.4 51.5 24 24 A V H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.942 110.2 49.5 -59.4 -45.0 27.0 84.4 54.4 25 25 A Q H X S+ 0 0 75 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.937 111.0 48.6 -61.8 -45.8 29.8 82.2 53.0 26 26 A A H X S+ 0 0 27 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.932 115.3 44.7 -58.5 -46.9 29.5 83.7 49.5 27 27 A L H <>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 4,-0.3 0.963 111.3 53.1 -64.9 -44.1 29.5 87.2 50.8 28 28 A H H ><5S+ 0 0 60 -4,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.903 107.1 53.2 -56.5 -39.8 32.3 86.4 53.2 29 29 A A H 3<5S+ 0 0 85 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.877 104.6 55.2 -67.9 -30.6 34.4 85.2 50.3 30 30 A T T 3<5S- 0 0 63 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.443 120.4-103.3 -87.2 9.6 33.9 88.3 48.3 31 31 A G T < 5S+ 0 0 45 -3,-1.4 -24,-1.8 -4,-0.3 -3,-0.2 0.579 72.4 141.2 87.7 9.7 35.2 90.6 51.1 32 32 A A < - 0 0 9 -5,-1.7 2,-0.6 -26,-0.3 -1,-0.3 -0.447 55.8-116.4 -76.9 156.6 31.9 92.0 52.5 33 33 A R E -a 9 0A 150 -25,-2.8 -23,-3.6 -2,-0.1 2,-0.4 -0.878 36.4-155.4 -96.4 127.2 31.4 92.5 56.2 34 34 A V E -a 10 0A 3 -2,-0.6 21,-2.8 -25,-0.2 2,-0.6 -0.872 20.8-163.3-112.8 131.5 28.7 90.2 57.4 35 35 A V E -ac 11 55A 0 -25,-2.8 -23,-2.6 -2,-0.4 2,-0.6 -0.975 21.6-159.0-102.2 117.8 26.3 90.4 60.4 36 36 A A E -ac 12 56A 0 19,-2.5 21,-3.0 -2,-0.6 2,-0.5 -0.916 8.7-172.1-109.2 114.5 24.9 86.9 60.8 37 37 A V E +ac 13 57A 0 -25,-2.6 -22,-2.4 -2,-0.6 -23,-0.9 -0.915 18.3 146.6-109.1 128.5 21.6 86.6 62.7 38 38 A S E - c 0 58A 13 19,-2.0 21,-1.6 -2,-0.5 6,-0.0 -0.983 50.1-121.0-157.4 164.3 20.2 83.3 63.7 39 39 A R S S+ 0 0 153 -2,-0.3 2,-0.6 19,-0.2 -1,-0.1 0.765 91.5 63.1 -78.3 -31.8 18.2 81.5 66.4 40 40 A T >> - 0 0 48 1,-0.1 4,-1.2 19,-0.1 3,-0.7 -0.871 63.7-155.1-111.9 122.1 20.6 78.8 67.4 41 41 A Q H 3> S+ 0 0 91 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.828 93.0 57.7 -56.4 -41.1 24.0 79.7 69.0 42 42 A A H 3> S+ 0 0 62 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.848 102.7 57.0 -69.3 -25.2 25.8 76.5 68.0 43 43 A D H <> S+ 0 0 30 -3,-0.7 4,-1.2 1,-0.2 -1,-0.3 0.891 110.4 43.6 -67.2 -38.8 25.0 77.3 64.3 44 44 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.878 106.9 60.4 -77.2 -32.9 26.7 80.6 64.7 45 45 A D H X S+ 0 0 82 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.959 110.5 40.4 -56.9 -49.0 29.7 79.2 66.6 46 46 A S H X S+ 0 0 29 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.822 112.4 56.8 -73.1 -24.4 30.6 76.9 63.7 47 47 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.895 106.2 49.1 -69.7 -39.3 29.8 79.6 61.1 48 48 A V H < S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.2 54.8 -68.2 -30.1 32.3 82.0 62.8 49 49 A R H < S+ 0 0 200 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.831 115.2 37.5 -70.9 -34.0 34.9 79.1 62.7 50 50 A E H < S+ 0 0 99 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.801 128.5 34.1 -85.8 -28.3 34.4 78.7 59.0 51 51 A C S >< S- 0 0 6 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.2 -0.646 82.4-160.7-126.0 74.6 34.1 82.4 58.2 52 52 A P T 3 S+ 0 0 88 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.233 72.7 36.3 -59.8 140.8 36.3 84.3 60.6 53 53 A G T 3 S+ 0 0 72 1,-0.4 -19,-0.1 -5,-0.1 -5,-0.1 0.160 79.7 124.7 104.6 -19.9 35.3 88.0 61.0 54 54 A I < - 0 0 11 -3,-1.7 -1,-0.4 -6,-0.2 -19,-0.2 -0.447 61.0-126.9 -67.6 151.2 31.5 87.7 60.7 55 55 A E E -c 35 0A 76 -21,-2.8 -19,-2.5 -3,-0.1 2,-0.3 -0.875 24.0-151.8 -96.9 112.7 29.6 89.3 63.6 56 56 A P E -c 36 0A 57 0, 0.0 2,-0.4 0, 0.0 -19,-0.2 -0.625 11.8-171.5 -84.8 142.2 27.1 86.7 65.0 57 57 A V E -c 37 0A 26 -21,-3.0 -19,-2.0 -2,-0.3 2,-0.6 -0.991 7.9-158.5-127.2 119.7 23.9 87.9 66.6 58 58 A C E +c 38 0A 56 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.870 34.9 128.6-104.4 116.0 21.9 85.2 68.3 59 59 A V - 0 0 14 -21,-1.6 2,-0.8 -2,-0.6 -2,-0.1 -0.992 60.9-110.7-161.0 150.9 18.2 86.1 68.8 60 60 A D > - 0 0 51 -2,-0.3 3,-1.9 1,-0.1 7,-0.2 -0.856 26.8-158.5 -87.5 110.2 14.7 84.8 68.2 61 61 A L T 3 S+ 0 0 16 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.643 86.1 70.8 -69.0 -14.4 13.4 87.1 65.4 62 62 A G T 3 S+ 0 0 6 1,-0.1 2,-0.8 47,-0.0 -1,-0.3 0.601 84.0 81.9 -73.8 -3.7 9.8 86.2 66.3 63 63 A D <> - 0 0 68 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.839 64.0-167.8-106.0 101.3 10.3 88.3 69.5 64 64 A W H > S+ 0 0 76 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.903 85.8 45.0 -55.4 -50.6 9.9 91.9 68.7 65 65 A E H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 113.9 47.4 -64.5 -44.0 11.3 93.3 71.9 66 66 A A H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 111.3 53.2 -64.0 -38.5 14.3 91.0 72.0 67 67 A T H X S+ 0 0 0 -4,-2.6 4,-3.2 -7,-0.2 5,-0.2 0.929 107.3 49.9 -62.8 -46.0 15.1 91.8 68.4 68 68 A E H X S+ 0 0 112 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.934 113.7 46.4 -55.6 -46.9 15.0 95.5 69.0 69 69 A R H < S+ 0 0 205 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.885 116.9 44.7 -67.3 -35.2 17.4 95.1 71.9 70 70 A A H < S+ 0 0 33 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 126.4 26.9 -75.4 -37.2 19.6 92.8 69.9 71 71 A L H >< S+ 0 0 1 -4,-3.2 3,-1.2 -5,-0.2 4,-0.2 0.532 93.7 86.5-107.6 -6.4 19.7 94.8 66.7 72 72 A G T 3< S+ 0 0 57 -4,-2.3 3,-0.2 1,-0.3 -1,-0.1 0.809 98.9 42.6 -64.4 -29.7 19.2 98.4 67.6 73 73 A S T 3 S+ 0 0 105 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.340 80.0 110.4-105.6 36.9 22.9 98.8 68.3 74 74 A V < - 0 0 22 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.674 67.0-141.0 -97.0 -16.6 24.3 96.9 65.2 75 75 A G - 0 0 50 -3,-0.2 2,-0.4 -4,-0.2 -1,-0.2 -0.508 50.5 -0.1 100.3-166.9 25.8 99.8 63.3 76 76 A P + 0 0 71 0, 0.0 2,-0.4 0, 0.0 42,-0.1 -0.502 60.9 179.6 -69.9 122.5 26.0 100.8 59.7 77 77 A V + 0 0 6 -2,-0.4 -67,-0.2 41,-0.2 3,-0.1 -0.998 11.9 177.7-125.9 123.5 24.4 98.2 57.5 78 78 A D + 0 0 28 -69,-2.5 52,-1.0 -2,-0.4 2,-0.3 0.777 67.8 30.3 -92.8 -34.6 24.3 98.8 53.7 79 79 A L E -bd 10 130A 1 -70,-1.5 -68,-3.0 50,-0.2 2,-0.4 -0.956 64.7-161.4-136.0 142.7 22.6 95.6 52.5 80 80 A L E -bd 11 131A 0 50,-1.9 52,-2.8 -2,-0.3 2,-0.6 -0.979 9.3-168.2-135.3 131.5 20.0 93.3 54.0 81 81 A V E -bd 12 132A 0 -70,-2.9 -68,-2.4 -2,-0.4 2,-1.1 -0.932 9.2-160.8-119.5 112.2 18.9 89.8 53.3 82 82 A N E + d 0 133A 6 50,-2.6 52,-3.0 -2,-0.6 -68,-0.1 -0.798 38.1 138.9 -90.1 95.0 15.6 88.8 55.0 83 83 A N + 0 0 24 -2,-1.1 -69,-0.2 -70,-0.4 -1,-0.2 0.628 25.0 111.0-114.0 -25.1 15.9 85.0 54.9 84 84 A A + 0 0 22 -3,-0.2 2,-0.3 -47,-0.1 -70,-0.1 -0.248 40.3 147.5 -59.6 137.5 14.7 83.6 58.2 85 85 A A - 0 0 25 -71,-0.0 2,-0.4 2,-0.0 18,-0.1 -0.974 36.0-138.8-160.6 161.1 11.4 81.7 58.1 86 86 A V - 0 0 30 -2,-0.3 2,-0.6 17,-0.2 21,-0.1 -0.953 8.2-152.4-123.0 143.9 9.4 78.9 59.6 87 87 A A + 0 0 38 -2,-0.4 2,-0.8 2,-0.0 -2,-0.0 -0.908 15.5 176.8-118.5 97.8 7.3 76.3 57.8 88 88 A L - 0 0 60 -2,-0.6 2,-0.5 11,-0.1 61,-0.4 -0.911 18.5-158.0-102.7 104.2 4.5 75.0 60.1 89 89 A L + 0 0 62 -2,-0.8 57,-0.2 59,-0.1 56,-0.1 -0.737 25.0 149.5 -94.9 121.4 2.5 72.7 57.9 90 90 A Q B -g 146 0B 43 55,-1.2 57,-0.6 -2,-0.5 58,-0.3 -0.992 50.3-101.5-144.5 143.9 -1.1 71.9 58.7 91 91 A P >> - 0 0 46 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.389 43.9-109.5 -55.6 142.6 -4.2 71.0 56.7 92 92 A F G >4 S+ 0 0 152 1,-0.3 3,-1.3 2,-0.2 52,-0.0 0.847 119.3 52.5 -46.1 -45.8 -6.4 74.1 56.4 93 93 A L G 34 S+ 0 0 163 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.629 112.9 46.3 -73.3 -7.8 -9.1 72.5 58.7 94 94 A E G <4 S+ 0 0 130 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.372 77.3 132.0-111.5 5.2 -6.4 71.8 61.3 95 95 A V << - 0 0 47 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.0 -0.327 44.5-150.6 -57.1 131.4 -4.6 75.2 61.3 96 96 A T > - 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0 0 58 346,-3.1 2,-0.4 -2,-0.4 -3,-0.1 -0.328 23.4-170.9 -69.4 146.2 -1.1 76.9 46.4 143 143 A V > - 0 0 39 -5,-0.1 3,-1.9 3,-0.1 7,-0.2 -0.998 34.1 -97.5-133.7 134.1 0.3 73.7 47.9 144 144 A T T 3 S+ 0 0 114 -2,-0.4 -55,-0.0 1,-0.3 0, 0.0 -0.151 107.1 13.4 -49.0 140.0 -1.6 71.3 50.2 145 145 A N T 3 S+ 0 0 74 1,-0.1 -55,-1.2 -55,-0.1 -1,-0.3 0.505 106.1 94.6 71.5 6.7 -1.0 71.7 54.0 146 146 A H B <> +g 90 0B 17 -3,-1.9 4,-3.2 -57,-0.2 5,-0.4 -0.028 37.8 122.6-115.0 28.8 0.7 75.1 53.3 147 147 A S H > S+ 0 0 39 -57,-0.6 4,-1.8 1,-0.2 5,-0.1 0.962 83.4 36.3 -59.6 -50.5 -2.2 77.5 53.8 148 148 A V H > S+ 0 0 10 -58,-0.3 4,-2.3 -60,-0.2 -1,-0.2 0.966 119.7 47.8 -66.9 -50.1 -0.4 79.5 56.5 149 149 A Y H > S+ 0 0 26 -61,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.930 113.4 47.2 -56.3 -49.1 3.1 79.3 55.0 150 150 A a H X S+ 0 0 18 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.856 110.4 54.2 -61.8 -35.6 1.9 80.2 51.5 151 151 A S H X S+ 0 0 65 -4,-1.8 4,-2.5 -5,-0.4 -1,-0.2 0.911 105.4 51.8 -66.3 -37.7 -0.0 83.1 52.9 152 152 A T H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.876 113.2 45.7 -64.9 -33.8 3.0 84.5 54.7 153 153 A K H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.847 111.2 51.5 -79.6 -34.0 4.9 84.4 51.4 154 154 A G H X S+ 0 0 28 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.892 111.9 47.7 -63.6 -39.5 2.0 85.9 49.5 155 155 A A H X S+ 0 0 32 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.898 109.6 54.7 -65.1 -36.4 2.0 88.7 52.1 156 156 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.924 103.7 53.7 -64.7 -43.3 5.8 89.0 51.7 157 157 A D H X S+ 0 0 9 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.954 113.6 42.7 -55.5 -48.7 5.6 89.5 48.0 158 158 A M H X S+ 0 0 101 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.906 110.3 55.0 -69.1 -36.3 3.2 92.4 48.4 159 159 A L H X S+ 0 0 32 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.935 104.2 57.1 -59.1 -42.4 5.1 93.9 51.4 160 160 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.859 106.4 49.9 -51.3 -43.4 8.1 93.9 49.0 161 161 A K H X S+ 0 0 99 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.891 111.5 45.3 -70.7 -42.4 6.1 96.0 46.6 162 162 A V H X S+ 0 0 58 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.904 113.4 51.5 -70.8 -37.6 5.0 98.6 49.2 163 163 A M H X S+ 0 0 23 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.946 109.1 50.7 -57.4 -49.6 8.5 98.8 50.6 164 164 A A H X S+ 0 0 8 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.892 112.0 49.0 -53.7 -42.2 9.8 99.3 47.0 165 165 A L H < S+ 0 0 131 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.969 116.6 38.0 -65.7 -54.1 7.3 102.1 46.6 166 166 A E H < S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.792 122.0 42.7 -72.5 -27.5 7.9 104.0 49.8 167 167 A L H ><>S+ 0 0 27 -4,-2.7 5,-1.5 -5,-0.3 3,-1.4 0.647 89.4 89.5 -98.4 -9.8 11.7 103.6 49.9 168 168 A G G ><5S+ 0 0 37 -4,-1.4 3,-1.9 -5,-0.3 -1,-0.2 0.868 83.7 54.7 -48.5 -49.0 12.2 104.3 46.2 169 169 A P G 3 5S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 105.6 55.7 -61.7 -20.4 12.7 108.0 46.7 170 170 A H G < 5S- 0 0 87 -3,-1.4 -2,-0.2 2,-0.2 -41,-0.1 0.210 118.2-111.4 -92.4 9.9 15.5 107.1 49.2 171 171 A K T < 5S+ 0 0 153 -3,-1.9 -42,-1.8 1,-0.2 2,-0.5 0.837 73.6 135.6 63.8 34.2 17.4 105.0 46.7 172 172 A I E < -e 129 0A 2 -5,-1.5 2,-0.3 -44,-0.2 -42,-0.2 -0.963 41.0-154.9-115.0 121.3 16.7 101.8 48.4 173 173 A R E -e 130 0A 27 -44,-1.9 -42,-2.8 -2,-0.5 2,-0.4 -0.695 6.9-167.2 -92.7 146.1 15.7 98.9 46.2 174 174 A V E +e 131 0A 0 -2,-0.3 58,-3.2 -44,-0.2 59,-0.3 -0.980 15.5 162.3-135.1 119.2 13.6 96.0 47.6 175 175 A N E -e 132 0A 1 -44,-2.5 -42,-2.9 -2,-0.4 2,-0.3 -0.906 25.8-136.0-134.6 166.9 13.2 92.7 45.7 176 176 A A E -ef 133 234A 0 57,-2.5 59,-2.7 -2,-0.3 2,-0.4 -0.927 6.3-149.3-120.3 147.8 12.1 89.2 46.5 177 177 A V E -ef 134 235A 0 -44,-2.0 -42,-2.8 -2,-0.3 38,-0.0 -0.958 10.2-159.9-112.5 140.2 13.6 85.9 45.3 178 178 A N E - 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0 0 5 -3,-1.6 3,-2.6 -4,-0.2 36,-0.2 -0.904 65.4-155.4-111.1 108.5 9.4 71.7 36.6 205 205 A P T 3 S+ 0 0 82 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 0.796 96.7 52.2 -48.8 -38.6 10.5 72.2 33.0 206 206 A L T 3 S- 0 0 134 33,-1.6 34,-0.1 2,-0.2 33,-0.1 0.482 107.3-134.3 -83.3 0.2 14.2 72.0 33.9 207 207 A G < + 0 0 51 -3,-2.6 2,-0.3 -6,-0.3 -6,-0.1 0.790 67.1 78.0 57.1 41.1 13.4 68.7 35.7 208 208 A K S S- 0 0 113 -7,-0.1 2,-0.2 31,-0.1 -2,-0.2 -0.990 75.7-101.8-161.9 165.8 15.2 69.3 38.9 209 209 A F - 0 0 28 -2,-0.3 2,-0.2 1,-0.1 -27,-0.2 -0.507 45.3 -95.0 -88.6 164.8 15.2 71.1 42.2 210 210 A A B -h 182 0C 8 -29,-1.7 -27,-0.8 -2,-0.2 2,-0.3 -0.513 30.4-140.6 -77.7 144.1 17.1 74.3 43.1 211 211 A E >> - 0 0 98 -2,-0.2 4,-1.3 -29,-0.2 3,-0.7 -0.704 27.6-110.6 -94.6 153.7 20.5 74.2 44.8 212 212 A V H 3> S+ 0 0 44 -2,-0.3 4,-2.8 1,-0.2 3,-0.5 0.900 117.6 60.5 -48.9 -42.9 21.5 76.8 47.4 213 213 A E H 3> S+ 0 0 128 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.885 99.4 54.3 -63.2 -33.2 24.0 78.2 44.9 214 214 A H H <> S+ 0 0 72 -3,-0.7 4,-1.4 2,-0.2 -1,-0.3 0.893 111.2 46.1 -61.9 -38.1 21.2 79.1 42.5 215 215 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.5 -2,-0.2 0.938 112.5 49.4 -71.6 -44.7 19.4 81.0 45.2 216 216 A V H X S+ 0 0 7 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.936 106.1 56.8 -60.0 -42.4 22.5 82.8 46.4 217 217 A N H X S+ 0 0 95 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.901 109.8 45.7 -54.3 -43.0 23.4 83.8 42.8 218 218 A A H X S+ 0 0 13 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.863 111.0 52.0 -68.0 -38.9 20.1 85.5 42.5 219 219 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.950 110.3 49.2 -64.6 -44.3 20.3 87.2 45.9 220 220 A L H X S+ 0 0 20 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.854 109.5 51.2 -62.0 -40.0 23.7 88.6 45.0 221 221 A F H < S+ 0 0 76 -4,-1.9 6,-0.5 -5,-0.2 3,-0.3 0.945 111.6 47.6 -63.2 -45.4 22.5 90.0 41.6 222 222 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.710 111.5 50.5 -68.3 -23.9 19.6 91.7 43.3 223 223 A L H < S+ 0 0 1 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.785 99.8 82.9 -82.9 -27.9 21.8 93.2 46.0 224 224 A S S >< S- 0 0 0 -4,-1.5 3,-1.8 -3,-0.3 -220,-0.1 -0.332 89.9-116.8 -78.7 159.5 24.3 94.5 43.4 225 225 A D G > S+ 0 0 96 -222,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.499 105.0 86.2 -74.5 -4.2 24.1 97.8 41.4 226 226 A R G 3 S+ 0 0 111 1,-0.2 -1,-0.3 -5,-0.2 3,-0.2 0.727 91.0 46.9 -60.6 -27.4 23.9 95.5 38.4 227 227 A S G X S+ 0 0 2 -3,-1.8 3,-2.4 -6,-0.5 -1,-0.2 -0.081 76.0 141.3-108.6 34.3 20.1 95.3 39.0 228 228 A G T < S+ 0 0 40 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.621 70.3 42.7 -53.5 -25.2 19.8 99.1 39.5 229 229 A M T 3 S+ 0 0 186 -3,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.190 94.7 97.2-109.0 17.5 16.4 99.6 37.8 230 230 A T < + 0 0 52 -3,-2.4 2,-0.3 -8,-0.1 -3,-0.1 -0.895 44.6 142.4-110.6 115.3 14.9 96.5 39.3 231 231 A T + 0 0 65 -2,-0.6 -56,-0.2 -58,-0.1 3,-0.1 -0.999 57.0 22.7-149.1 145.7 12.7 97.0 42.4 232 232 A G S S+ 0 0 15 -58,-3.2 -57,-0.2 -2,-0.3 -71,-0.1 0.673 89.9 136.2 80.4 11.9 9.5 95.6 43.8 233 233 A S - 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0 0 5 -3,-1.9 3,-3.2 -4,-0.3 36,-0.2 -0.859 64.2-156.6-104.3 104.5 -8.1 71.0 38.8 450 205 B P T 3 S+ 0 0 85 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.812 96.2 53.8 -47.0 -38.6 -9.2 71.3 42.4 451 206 B L T 3 S- 0 0 129 33,-2.0 34,-0.1 2,-0.2 33,-0.1 0.603 106.4-135.8 -79.9 -2.9 -12.9 70.9 41.4 452 207 B G < + 0 0 48 -3,-3.2 2,-0.3 32,-0.3 -6,-0.1 0.768 66.2 80.3 62.9 30.0 -11.8 67.7 39.6 453 208 B K S S- 0 0 103 31,-0.1 -2,-0.2 -7,-0.1 -1,-0.1 -0.995 75.7-107.4-156.4 160.4 -13.7 68.2 36.4 454 209 B F - 0 0 28 -2,-0.3 -27,-0.2 1,-0.1 2,-0.2 -0.425 49.4 -92.8 -80.1 168.8 -13.6 69.9 33.0 455 210 B A B -o 427 0E 11 -29,-2.1 -27,-0.8 27,-0.1 2,-0.3 -0.516 30.0-136.3 -81.0 149.4 -15.9 72.8 32.3 456 211 B E >> - 0 0 105 -2,-0.2 4,-1.5 -29,-0.2 3,-0.6 -0.689 27.4-112.0 -92.7 155.4 -19.4 72.6 30.7 457 212 B V H 3> S+ 0 0 45 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.878 117.7 62.2 -49.5 -42.0 -20.5 75.0 28.0 458 213 B E H 3> S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 98.2 53.0 -59.4 -41.0 -23.1 76.2 30.5 459 214 B H H <> S+ 0 0 72 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.932 111.7 46.5 -59.8 -41.8 -20.4 77.4 33.0 460 215 B V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.960 111.1 50.5 -66.0 -46.6 -18.8 79.4 30.3 461 216 B V H X S+ 0 0 8 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.901 106.9 55.5 -57.7 -42.3 -22.0 81.0 29.1 462 217 B N H X S+ 0 0 92 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.931 108.8 46.7 -58.9 -43.6 -23.0 82.0 32.6 463 218 B A H X S+ 0 0 14 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.939 112.0 51.9 -64.8 -40.1 -19.8 83.9 33.0 464 219 B I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 5,-0.2 0.947 109.7 48.5 -59.0 -48.4 -20.3 85.5 29.6 465 220 B L H X S+ 0 0 18 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.890 110.3 51.4 -63.6 -37.4 -23.8 86.6 30.4 466 221 B F H < S+ 0 0 84 -4,-2.1 6,-0.4 -5,-0.2 -1,-0.2 0.926 111.1 47.7 -62.7 -44.6 -22.6 88.1 33.8 467 222 B L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.723 112.4 50.0 -73.1 -20.3 -19.8 90.1 32.1 468 223 B L H < S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.824 100.1 81.1 -82.0 -32.3 -22.2 91.4 29.4 469 224 B S S >< S- 0 0 0 -4,-1.7 3,-1.6 -5,-0.2 -220,-0.1 -0.336 90.2-114.3 -79.4 162.0 -24.8 92.5 31.9 470 225 B D G > S+ 0 0 91 -222,-0.9 3,-1.5 1,-0.3 -1,-0.1 0.593 103.5 86.4 -64.8 -14.9 -24.9 95.7 34.0 471 226 B R G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -223,-0.2 3,-0.2 0.708 90.3 49.1 -57.5 -20.3 -24.5 93.5 37.1 472 227 B S G X S+ 0 0 3 -3,-1.6 3,-2.3 -6,-0.4 -1,-0.3 -0.101 73.6 145.2-114.4 39.2 -20.7 93.7 36.5 473 228 B G T < S+ 0 0 41 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.555 70.5 42.0 -56.0 -20.4 -20.7 97.5 36.0 474 229 B M T 3 S+ 0 0 188 -3,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.156 92.3 99.5-118.0 22.4 -17.3 98.1 37.6 475 230 B T < + 0 0 52 -3,-2.3 2,-0.3 -8,-0.1 -3,-0.1 -0.928 42.2 137.7-110.3 120.1 -15.5 95.2 36.0 476 231 B T + 0 0 63 -2,-0.6 -56,-0.2 -58,-0.1 3,-0.1 -0.987 57.4 27.7-155.3 151.6 -13.3 95.9 32.9 477 232 B G S S+ 0 0 18 -58,-3.4 -57,-0.2 -2,-0.3 2,-0.2 0.627 91.9 136.3 74.5 11.7 -9.9 94.8 31.6 478 233 B S - 0 0 37 -59,-0.4 -57,-2.8 -73,-0.1 2,-0.5 -0.492 53.7-144.2 -96.8 161.1 -10.4 91.6 33.6 479 234 B T E -n 421 0D 31 -59,-0.2 -57,-0.2 -2,-0.2 -77,-0.0 -0.898 19.2-158.2-120.5 101.8 -9.7 87.9 32.9 480 235 B L E -n 422 0D 47 -59,-2.4 -57,-3.4 -2,-0.5 2,-0.3 -0.694 12.6-139.4 -81.3 112.8 -12.4 85.8 34.6 481 236 B P E +n 423 0D 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.553 27.7 173.8 -79.7 135.2 -11.3 82.2 35.1 482 237 B V E +n 424 0D 24 -59,-1.7 -57,-1.9 -2,-0.3 -27,-0.1 -0.557 47.9 114.4-126.6 59.0 -13.7 79.3 34.5 483 238 B E S > S- 0 0 17 -59,-0.3 3,-1.6 -29,-0.1 -57,-0.1 0.103 86.4-109.9-128.1 19.8 -11.0 76.7 35.0 484 239 B G T 3 S- 0 0 22 1,-0.3 -33,-2.0 2,-0.1 -32,-0.3 0.639 81.9 -52.2 64.0 18.6 -12.0 74.8 38.2 485 240 B G T >> S+ 0 0 21 -35,-0.2 3,-1.2 -36,-0.2 4,-0.5 0.499 96.2 137.8 96.9 9.5 -9.1 76.4 40.1 486 241 B F G X4 S+ 0 0 6 -3,-1.6 3,-1.0 1,-0.2 -2,-0.1 0.872 70.8 53.1 -56.2 -39.5 -6.3 75.4 37.7 487 242 B W G 34 S+ 0 0 33 1,-0.2 -1,-0.2 2,-0.2 -38,-0.1 0.695 99.7 65.4 -71.4 -17.5 -4.6 78.8 38.0 488 243 B A G <4 0 0 57 -3,-1.2 -346,-3.1 1,-0.2 -1,-0.2 0.632 360.0 360.0 -82.5 -14.1 -4.5 78.7 41.8 489 244 B C << 0 0 29 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.413 360.0 360.0-136.6 360.0 -2.1 75.8 42.2