==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-09 3A24 . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR M.OKUYAMA,M.KITAMURA,H.HONDOH,I.TANAKA,M.YAO . 1282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 898 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 334 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 133 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 7 7 2 0 0 2 4 2 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 6 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 . 6 8 8 7 7 6 5 7 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 2 2 2 0 0 2 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 22 A R 0 0 218 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 112.4 44.6 11.7 116.3 2 23 A H E -A 15 0A 37 13,-3.5 13,-3.6 2,-0.0 2,-0.3 -0.970 360.0-151.8-125.8 134.2 44.5 9.9 112.9 3 24 A M E +A 14 0A 79 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.788 12.8 177.5-105.4 144.6 46.8 10.1 109.9 4 25 A E E -A 13 0A 8 9,-1.5 9,-2.5 -2,-0.3 2,-0.3 -0.967 7.8-165.3-147.5 129.0 46.0 9.6 106.2 5 26 A L E -A 12 0A 68 -2,-0.3 7,-0.2 7,-0.2 92,-0.2 -0.818 26.1-106.3-116.5 153.0 48.3 10.0 103.2 6 27 A S > - 0 0 2 5,-2.9 3,-3.2 -2,-0.3 92,-0.2 -0.335 45.7 -98.3 -69.2 156.2 47.7 10.2 99.4 7 28 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 73,-0.1 0.810 128.5 46.1 -47.0 -34.8 48.7 7.1 97.4 8 29 A D T 3 S- 0 0 75 3,-0.1 -2,-0.1 1,-0.0 90,-0.0 0.449 108.4-129.4 -89.7 1.5 52.0 8.7 96.5 9 30 A G S < S+ 0 0 36 -3,-3.2 3,-0.1 2,-0.2 90,-0.0 0.502 80.7 105.9 67.7 6.5 52.6 9.8 100.2 10 31 A N S S+ 0 0 87 1,-0.1 18,-2.9 18,-0.1 2,-0.4 0.565 73.7 54.5 -94.2 -7.4 53.3 13.4 99.4 11 32 A L E + B 0 27A 6 16,-0.2 -5,-2.9 17,-0.1 2,-0.3 -0.990 68.8 168.7-126.9 124.9 50.0 14.8 100.7 12 33 A K E -AB 5 26A 57 14,-2.2 14,-2.5 -2,-0.4 2,-0.4 -0.990 21.9-156.5-141.2 149.4 48.7 14.0 104.1 13 34 A T E -A 4 0A 0 -9,-2.5 -9,-1.5 -2,-0.3 2,-0.6 -0.983 8.8-153.0-124.9 129.8 46.0 15.1 106.6 14 35 A T E -A 3 0A 11 -2,-0.4 10,-1.5 -11,-0.2 2,-0.5 -0.898 13.4-158.9-101.7 124.0 46.2 14.7 110.3 15 36 A I E -AC 2 23A 0 -13,-3.6 -13,-3.5 -2,-0.6 2,-0.5 -0.905 5.0-164.8-107.3 128.3 42.8 14.5 111.9 16 37 A T E - C 0 22A 43 6,-2.8 6,-2.1 -2,-0.5 2,-0.9 -0.953 11.1-162.4-117.8 127.3 42.4 15.2 115.6 17 38 A I E + C 0 21A 36 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.798 48.0 115.6-106.3 87.3 39.4 14.3 117.7 18 39 A G S S- 0 0 32 2,-2.2 34,-0.5 -2,-0.9 33,-0.4 -0.153 90.7 -37.2-123.8-139.7 39.7 16.6 120.8 19 40 A D S S+ 0 0 112 32,-0.2 32,-1.8 31,-0.1 2,-0.3 0.827 139.4 26.7 -58.9 -26.3 37.6 19.4 122.2 20 41 A R S S- 0 0 74 30,-0.2 -2,-2.2 31,-0.1 2,-0.8 -0.933 86.5-118.8-133.2 154.7 37.2 20.2 118.5 21 42 A L E +C 17 0A 1 28,-0.4 17,-1.8 17,-0.4 2,-0.3 -0.846 47.3 167.8 -96.9 106.8 37.3 18.0 115.3 22 43 A T E -CD 16 37A 23 -6,-2.1 -6,-2.8 -2,-0.8 2,-0.3 -0.837 22.2-172.0-122.6 159.7 40.2 19.4 113.2 23 44 A Y E -CD 15 36A 2 13,-1.3 13,-1.7 -2,-0.3 -8,-0.2 -0.990 7.5-168.2-147.0 139.0 42.2 18.4 110.2 24 45 A D E - 0 0 13 -10,-1.5 2,-0.4 -2,-0.3 10,-0.2 -0.565 15.0-128.9-117.1-176.1 45.3 20.0 108.7 25 46 A I E - D 0 33A 1 8,-2.1 8,-1.8 -2,-0.2 7,-1.8 -0.990 15.5-172.4-142.3 131.3 47.2 19.5 105.4 26 47 A T E -BD 12 31A 10 -14,-2.5 -14,-2.2 -2,-0.4 2,-0.5 -0.990 4.9-165.4-125.8 127.2 50.9 18.9 104.8 27 48 A C E > S-BD 11 30A 10 3,-3.3 3,-2.0 -2,-0.4 -16,-0.2 -0.949 75.4 -21.1-116.8 116.5 52.4 19.0 101.3 28 49 A N T 3 S- 0 0 95 -18,-2.9 -1,-0.2 -2,-0.5 -17,-0.1 0.934 130.1 -48.6 51.9 48.5 55.8 17.5 100.8 29 50 A G T 3 S+ 0 0 73 -19,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.270 117.5 112.9 79.1 -12.7 56.5 17.9 104.5 30 51 A R E < -D 27 0A 86 -3,-2.0 -3,-3.3 2,-0.0 2,-0.8 -0.821 67.2-131.2 -98.7 128.5 55.3 21.5 104.6 31 52 A Q E +D 26 0A 79 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.652 32.3 168.2 -77.7 111.4 52.2 22.4 106.6 32 53 A I E S+ 0 0 0 -7,-1.8 2,-0.4 -2,-0.8 95,-0.2 0.581 70.2 39.0 -98.7 -13.7 50.0 24.4 104.2 33 54 A L E S-D 25 0A 2 -8,-1.8 -8,-2.1 92,-0.2 -1,-0.3 -0.972 77.3-145.2-138.8 120.8 46.9 24.2 106.4 34 55 A T E - 0 0 33 90,-2.3 90,-0.5 -2,-0.4 -11,-0.2 -0.375 54.9 -58.2 -78.0 164.0 47.0 24.4 110.2 35 56 A P E - 0 0 69 0, 0.0 -11,-0.2 0, 0.0 -1,-0.2 -0.175 64.6-165.1 -45.5 120.0 44.4 22.4 112.2 36 57 A S E -D 23 0A 0 -13,-1.7 -13,-1.3 -3,-0.1 2,-0.1 -0.957 12.5-127.2-120.5 127.8 41.0 23.5 111.0 37 58 A P E -D 22 0A 26 0, 0.0 85,-2.1 0, 0.0 2,-0.3 -0.337 23.2-175.5 -71.7 146.6 37.7 22.8 112.8 38 59 A I E +E 121 0B 1 -17,-1.8 -17,-0.4 83,-0.2 2,-0.3 -0.994 15.8 139.4-141.2 143.7 34.6 21.3 111.2 39 60 A S E -E 120 0B 4 81,-2.2 81,-3.2 -2,-0.3 2,-0.4 -0.983 36.1-134.4-174.1 166.3 31.1 20.7 112.6 40 61 A M E -EF 119 48B 0 8,-1.4 8,-1.7 -2,-0.3 2,-0.6 -0.998 16.8-148.9-136.3 129.7 27.4 20.7 112.1 41 62 A T E -EF 118 47B 33 77,-3.2 76,-3.5 -2,-0.4 77,-1.0 -0.888 13.7-156.1-104.7 122.1 24.8 22.2 114.5 42 63 A L E > -E 116 0B 5 4,-2.6 3,-1.8 -2,-0.6 74,-0.2 -0.553 28.2-113.3 -93.7 159.7 21.4 20.6 114.7 43 64 A D T 3 S+ 0 0 80 72,-2.3 73,-0.1 1,-0.3 -1,-0.1 0.694 113.6 63.6 -63.9 -20.3 18.2 22.2 115.8 44 65 A N T 3 S- 0 0 96 71,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.364 122.7-101.7 -86.1 5.5 18.0 19.8 118.8 45 66 A G S < S+ 0 0 55 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.0 0.186 77.6 138.0 96.9 -18.3 21.2 21.3 120.2 46 67 A T - 0 0 31 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.289 34.8-163.5 -62.2 146.6 23.5 18.4 119.0 47 68 A V E > -F 41 0B 26 -6,-0.2 3,-1.6 3,-0.2 2,-0.5 -0.820 8.8-151.3-137.9 97.0 26.9 19.5 117.6 48 69 A W E 3 S+F 40 0B 5 -8,-1.7 -8,-1.4 -2,-0.4 3,-0.1 -0.530 88.3 31.8 -67.6 117.4 28.8 16.9 115.5 49 70 A G T > S+ 0 0 1 -2,-0.5 2,-0.7 1,-0.3 3,-0.5 -0.016 90.2 105.0 125.8 -31.0 32.4 17.9 116.0 50 71 A E T < S- 0 0 87 -3,-1.6 -1,-0.3 1,-0.3 -30,-0.2 -0.764 109.3 -25.2 -86.3 115.8 32.3 19.3 119.5 51 72 A N T 3 S- 0 0 113 -32,-1.8 -1,-0.3 -2,-0.7 -32,-0.2 0.926 93.7-160.3 44.9 52.8 33.8 16.8 122.0 52 73 A A < - 0 0 17 -3,-0.5 2,-0.7 -34,-0.5 -1,-0.1 -0.255 13.6-133.4 -65.0 150.3 33.0 14.1 119.5 53 74 A K - 0 0 145 35,-0.3 35,-3.6 -3,-0.1 2,-0.3 -0.889 17.3-148.1-111.6 103.4 32.7 10.4 120.6 54 75 A L E +H 87 0C 68 -2,-0.7 33,-0.3 33,-0.2 3,-0.1 -0.526 23.3 170.5 -72.4 128.0 34.6 8.1 118.3 55 76 A S E - 0 0 86 31,-2.5 2,-0.3 1,-0.4 32,-0.2 0.678 62.1 -23.8-108.5 -27.4 33.0 4.6 118.0 56 77 A G E -H 86 0C 16 30,-1.6 30,-3.0 2,-0.0 -1,-0.4 -0.966 48.4-147.2-177.4 161.9 35.0 3.1 115.1 57 78 A T E -H 85 0C 58 -2,-0.3 2,-0.4 28,-0.2 28,-0.2 -0.989 5.8-167.5-141.7 149.6 37.1 3.7 112.0 58 79 A S E -H 84 0C 59 26,-1.5 26,-2.2 -2,-0.3 2,-0.2 -0.987 8.4-158.0-141.5 127.9 37.6 1.9 108.7 59 80 A R E +H 83 0C 134 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.682 12.5 177.0-102.8 158.8 40.4 2.5 106.1 60 81 A K E -H 82 0C 110 22,-1.9 22,-2.9 -2,-0.2 2,-0.4 -0.989 22.4-145.5-157.1 156.5 40.4 1.7 102.4 61 82 A S E -H 81 0C 98 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.987 24.3-176.7-129.3 119.1 42.6 2.1 99.3 62 83 A V E +H 80 0C 28 18,-2.2 18,-2.6 -2,-0.4 2,-0.3 -0.938 16.2 170.5-123.3 141.4 40.8 2.5 96.0 63 84 A D E +H 79 0C 86 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.890 29.3 128.6-147.6 110.9 42.1 2.8 92.4 64 85 A E E -H 78 0C 88 14,-1.8 14,-3.3 -2,-0.3 2,-0.5 -0.935 53.4-102.8-154.3 174.2 39.5 2.7 89.6 65 86 A M E -H 77 0C 84 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.920 25.7-153.5-110.3 131.5 38.2 4.4 86.5 66 87 A I E -H 76 0C 13 10,-3.5 10,-3.0 -2,-0.5 2,-0.1 -0.911 22.4-122.3-104.7 123.3 35.0 6.5 86.6 67 88 A P E -H 75 0C 89 0, 0.0 8,-0.3 0, 0.0 7,-0.1 -0.439 29.5-175.0 -64.6 134.8 33.1 6.8 83.3 68 89 A S > > - 0 0 1 6,-2.3 3,-0.6 5,-0.2 5,-0.6 -0.636 3.1-175.0-135.4 78.1 32.7 10.4 82.4 69 90 A P T 3 5 + 0 0 46 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.330 69.0 19.3 -71.4 153.9 30.5 10.9 79.3 70 91 A F T 3 5S+ 0 0 33 1,-0.2 2,-0.2 212,-0.1 4,-0.1 0.880 114.0 82.7 56.0 42.0 30.0 14.4 77.7 71 92 A Y T < 5S- 0 0 6 -3,-0.6 475,-2.9 475,-0.4 -1,-0.2 -0.463 99.2 -51.9-144.0-144.4 33.1 15.7 79.4 72 93 A R T 5S+ 0 0 8 473,-0.2 2,-0.3 -2,-0.2 475,-0.1 0.549 111.8 5.4 -86.3 -9.0 36.9 15.9 79.2 73 94 A A S > -HI 54 91C 3 4,-2.3 4,-1.2 -2,-0.5 3,-0.6 -0.872 29.6 -96.8-117.7 149.0 30.9 8.7 115.8 88 109 A K T 34 S+ 0 0 154 -35,-3.6 -35,-0.3 -2,-0.3 -34,-0.0 -0.477 106.7 52.2 -64.7 120.1 28.5 7.8 118.6 89 110 A K T 34 S- 0 0 109 -2,-0.3 -1,-0.2 -41,-0.0 21,-0.1 0.474 123.6 -77.9 126.3 19.2 25.1 9.2 117.6 90 111 A D T <4 S+ 0 0 96 -3,-0.6 19,-1.9 1,-0.2 20,-1.0 0.869 95.8 114.2 65.5 40.4 24.6 7.8 114.0 91 112 A W E < -IJ 87 108C 7 -4,-1.2 -4,-2.3 17,-0.2 2,-0.3 -0.999 39.1-173.6-143.7 141.0 26.9 10.3 112.2 92 113 A N E -IJ 86 107C 9 15,-2.4 15,-2.9 -2,-0.3 2,-0.4 -0.814 17.6-146.3-127.9 167.8 30.2 9.8 110.3 93 114 A V E -IJ 85 106C 0 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.4 -0.977 17.9-154.7-135.6 116.6 32.9 11.9 108.6 94 115 A E E -IJ 84 105C 38 11,-2.5 11,-1.4 -2,-0.4 2,-0.4 -0.803 9.2-166.2 -96.7 135.7 34.6 10.4 105.5 95 116 A F E -IJ 83 104C 1 -12,-2.4 -12,-3.0 -2,-0.4 2,-0.4 -0.955 4.2-172.1-122.4 140.3 38.1 11.5 104.5 96 117 A R E -IJ 82 103C 35 7,-2.5 7,-2.0 -2,-0.4 2,-0.6 -0.995 10.1-158.8-133.6 138.6 39.9 11.0 101.2 97 118 A A E +IJ 81 102C 0 -16,-2.1 -16,-1.1 -2,-0.4 5,-0.2 -0.910 16.3 175.9-120.8 103.4 43.5 11.7 100.3 98 119 A Y E > - J 0 101C 5 3,-2.8 3,-1.4 -2,-0.6 -92,-0.2 -0.583 46.9-107.4 -95.9 164.2 44.1 12.0 96.6 99 120 A N T 3 S+ 0 0 64 -20,-0.5 -93,-0.1 1,-0.3 3,-0.1 0.719 122.5 37.0 -66.3 -16.8 47.6 12.9 95.2 100 121 A D T 3 S+ 0 0 40 1,-0.2 154,-1.8 155,-0.1 -1,-0.3 0.070 123.2 11.6-122.5 25.2 46.1 16.3 94.3 101 122 A G E < -JK 98 253C 0 -3,-1.4 -3,-2.8 152,-0.3 2,-0.4 -0.878 50.4-130.2 170.1 156.5 43.7 16.9 97.2 102 123 A I E +JK 97 252C 1 150,-2.1 150,-2.8 -2,-0.3 2,-0.3 -0.974 34.4 172.6-118.9 132.8 42.2 16.3 100.6 103 124 A A E +JK 96 251C 1 -7,-2.0 -7,-2.5 -2,-0.4 2,-0.3 -0.986 8.7 177.4-142.6 152.2 38.4 16.1 101.0 104 125 A Y E -JK 95 250C 0 146,-1.6 146,-3.1 -2,-0.3 2,-0.3 -0.955 4.2-172.1-147.3 165.9 35.8 15.2 103.6 105 126 A R E -J 94 0C 27 -11,-1.4 -11,-2.5 -2,-0.3 2,-0.3 -0.973 25.6-117.9-160.3 147.5 32.0 15.1 104.1 106 127 A F E -J 93 0C 1 142,-0.4 141,-2.5 -2,-0.3 2,-0.4 -0.639 27.2-156.2 -85.7 146.0 29.6 14.5 106.9 107 128 A V E -JL 92 246C 11 -15,-2.9 -15,-2.4 -2,-0.3 2,-0.7 -0.994 4.6-150.8-128.2 127.9 27.3 11.5 106.6 108 129 A N E +JL 91 245C 3 137,-3.6 137,-2.0 -2,-0.4 -17,-0.2 -0.869 26.8 160.3-101.3 110.4 24.0 11.2 108.3 109 130 A Q + 0 0 102 -19,-1.9 -18,-0.2 -2,-0.7 -1,-0.1 0.392 41.0 117.6-103.9 -1.8 23.0 7.6 109.2 110 131 A G - 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0 0 4 -4,-1.3 3,-0.2 -3,-0.5 -3,-0.0 -0.141 40.4-167.3 -51.2 131.5 42.1 18.0 88.6 265 286 A N >> + 0 0 38 -188,-0.2 4,-2.6 1,-0.1 3,-0.7 0.370 54.3 112.9 -99.5 1.9 39.0 15.7 88.3 266 287 A L H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.850 71.9 56.8 -42.6 -49.5 38.1 15.8 92.0 267 288 A S H 34 S+ 0 0 3 206,-0.4 -1,-0.2 1,-0.2 -77,-0.2 0.924 114.9 36.9 -52.2 -48.9 34.9 17.8 91.4 268 289 A Y H X4 S+ 0 0 5 -3,-0.7 3,-1.4 1,-0.2 -1,-0.2 0.891 114.7 55.0 -72.0 -40.0 33.5 15.2 89.0 269 290 A L H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.9 46.7 -62.3 -32.1 34.9 12.2 90.9 270 291 A L T 3< S+ 0 0 3 -4,-2.4 -1,-0.3 -5,-0.3 -21,-0.3 0.253 89.0 106.5 -96.6 11.4 33.2 13.3 94.1 271 292 A G S < S- 0 0 4 -3,-1.4 160,-0.1 -5,-0.1 3,-0.1 -0.593 87.4 -88.0 -86.2 153.5 29.8 14.0 92.5 272 293 A A - 0 0 15 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.377 58.2 -93.9 -60.9 136.8 27.0 11.6 93.2 273 294 A P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 161,-0.0 0.010 53.0 -78.3 -48.6 155.0 27.0 8.7 90.6 274 295 A S - 0 0 57 1,-0.1 161,-0.2 -3,-0.1 162,-0.2 -0.292 31.7-162.6 -59.5 138.7 24.9 8.9 87.5 275 296 A R + 0 0 116 160,-2.6 2,-0.4 -3,-0.1 -1,-0.1 -0.032 64.4 94.1-109.8 25.9 21.2 8.1 87.9 276 297 A M + 0 0 30 1,-0.1 3,-0.1 159,-0.1 -2,-0.1 -0.978 44.1 178.5-125.9 132.6 20.8 7.5 84.2 277 298 A S S S+ 0 0 128 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.853 73.8 54.2 -95.3 -46.2 21.0 4.2 82.3 278 299 A D + 0 0 69 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 -0.835 49.4 157.8 -97.5 120.5 20.2 5.3 78.7 279 300 A L > + 0 0 49 -2,-0.6 3,-1.7 -3,-0.1 -1,-0.1 0.398 46.2 102.5-117.7 -2.1 22.4 8.1 77.4 280 301 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.642 81.1 53.1 -58.3 -18.0 21.9 7.4 73.6 281 302 A W T 3 S+ 0 0 51 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.599 82.0 101.0 -95.3 -12.3 19.5 10.4 73.4 282 303 A I < - 0 0 10 -3,-1.7 -212,-0.1 137,-0.1 -3,-0.0 -0.637 54.0-171.5 -76.2 117.7 21.9 13.0 74.9 283 304 A K - 0 0 92 -2,-0.6 2,-0.1 155,-0.1 137,-0.1 -0.884 5.6-162.3-117.7 102.7 23.3 15.0 72.1 284 305 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 235,-0.2 -0.417 34.0 116.2 -76.5 159.8 26.1 17.4 72.9 285 306 A G E -v 519 0G 1 233,-1.5 235,-2.2 259,-0.1 2,-0.2 -0.988 53.5 -63.8 171.8-163.3 26.9 20.1 70.3 286 307 A K E -v 520 0G 3 -2,-0.3 39,-2.7 233,-0.2 2,-0.4 -0.721 31.4-135.8-116.6 167.0 27.0 23.8 69.5 287 308 A V E -vw 521 325G 0 233,-2.2 2,-2.2 -2,-0.2 235,-2.0 -0.970 14.6-141.4-126.9 131.9 24.6 26.6 69.1 288 309 A A E -v 522 0G 2 37,-2.3 39,-0.2 -2,-0.4 235,-0.1 -0.654 48.6-151.7 -83.7 80.1 24.2 29.4 66.5 289 310 A W - 0 0 3 -2,-2.2 4,-0.1 233,-1.0 39,-0.1 -0.111 24.7-168.5 -59.9 153.3 23.3 31.6 69.4 290 311 A D S >S+ 0 0 0 37,-0.2 5,-2.0 235,-0.1 6,-0.2 0.802 70.4 59.6-109.2 -45.7 21.0 34.6 69.1 291 312 A W T > 5S+ 0 0 34 3,-0.2 3,-2.4 1,-0.2 232,-0.1 0.887 95.8 56.0 -58.3 -53.7 21.1 36.7 72.2 292 313 A W T 3 5S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.1 232,-0.1 0.916 114.3 41.7 -48.3 -49.8 24.8 37.8 72.6 293 314 A N T > 5S- 0 0 1 230,-0.7 3,-2.1 231,-0.1 -1,-0.3 0.261 110.5-125.5 -84.1 11.2 24.8 39.3 69.1 294 315 A D T < 5 - 0 0 44 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.793 54.0 -73.6 50.4 39.3 21.3 40.8 69.7 295 316 A W T 3 S- 0 0 28 -2,-2.2 4,-1.7 1,-0.1 3,-0.2 -0.936 79.4 -96.8-148.7 168.9 10.4 36.7 64.8 308 329 A N H > S+ 0 0 36 38,-1.3 4,-1.9 -2,-0.3 5,-0.2 0.913 115.2 50.2 -60.5 -51.7 10.2 33.7 62.4 309 330 A P H > S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.841 110.0 54.1 -60.0 -28.2 12.3 34.9 59.5 310 331 A T H > S+ 0 0 0 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.932 110.4 43.8 -70.7 -45.0 15.1 35.7 61.9 311 332 A Y H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.773 108.3 59.7 -71.4 -23.8 15.2 32.3 63.5 312 333 A K H X S+ 0 0 84 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.914 104.5 50.6 -67.4 -40.6 15.0 30.7 60.1 313 334 A A H X S+ 0 0 23 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.886 111.1 47.2 -63.3 -41.0 18.2 32.5 59.2 314 335 A Y H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.899 113.2 49.5 -67.2 -39.1 20.0 31.2 62.3 315 336 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.901 112.1 47.7 -65.3 -42.3 18.7 27.7 61.6 316 337 A D H X S+ 0 0 49 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.884 112.6 48.5 -66.7 -40.4 19.9 27.9 58.0 317 338 A F H X S+ 0 0 11 -4,-2.4 4,-1.2 2,-0.2 6,-0.3 0.942 114.4 46.3 -64.2 -46.5 23.3 29.2 59.1 318 339 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.7 0.947 115.1 45.8 -60.2 -50.2 23.6 26.4 61.7 319 340 A S H ><5S+ 0 0 17 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.906 105.8 60.1 -60.4 -43.7 22.4 23.7 59.3 320 341 A A H 3<5S+ 0 0 9 -4,-2.6 408,-0.3 1,-0.3 -1,-0.2 0.806 115.4 34.9 -56.2 -29.6 24.7 24.9 56.5 321 342 A N T <<5S- 0 0 15 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.150 114.8-108.3-112.6 17.2 27.7 24.3 58.8 322 343 A G T < 5 + 0 0 24 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.665 61.0 160.8 66.9 15.6 26.5 21.2 60.6 323 344 A I < - 0 0 2 -5,-2.8 -1,-0.2 -6,-0.3 -2,-0.1 -0.539 34.4-142.6 -71.2 134.2 26.0 23.2 63.9 324 345 A E + 0 0 49 -2,-0.2 38,-2.9 37,-0.1 2,-0.3 0.792 62.6 30.8 -72.6 -34.3 23.6 21.2 66.1 325 346 A Y E -wx 287 362G 6 -39,-2.7 -37,-2.3 36,-0.2 2,-0.4 -0.844 43.0-162.3-133.6 166.8 21.4 23.7 67.9 326 347 A V E - x 0 363G 0 36,-1.6 38,-2.0 -2,-0.3 2,-0.4 -0.978 22.4-149.2-141.7 125.1 19.6 27.0 67.8 327 348 A I E - x 0 364G 0 -2,-0.4 2,-0.9 -39,-0.2 38,-0.2 -0.780 9.1-147.3 -98.1 141.4 18.4 28.6 71.1 328 349 A L E - x 0 365G 0 36,-2.6 38,-2.1 -2,-0.4 3,-0.2 -0.876 33.5-165.6-103.8 93.3 15.3 30.8 71.4 329 350 A D > - 0 0 5 -2,-0.9 3,-1.0 1,-0.2 37,-0.1 0.109 42.6 -35.6 -69.5-169.6 16.7 33.0 74.2 330 351 A E T 3 S+ 0 0 37 1,-0.2 -1,-0.2 2,-0.1 37,-0.1 -0.261 118.2 57.6 -54.4 126.0 14.6 35.3 76.3 331 352 A G T 3 S+ 0 0 29 -3,-0.2 -1,-0.2 35,-0.1 4,-0.2 0.139 72.7 88.9 142.1 -23.2 11.9 36.9 74.2 332 353 A W S < S+ 0 0 2 -3,-1.0 12,-2.8 -4,-0.1 2,-0.4 0.762 81.7 66.6 -75.6 -24.5 9.7 34.1 72.7 333 354 A A B S-B 343 0H 26 10,-0.3 10,-0.3 1,-0.1 -2,-0.1 -0.812 104.8 -91.0 -99.7 138.9 7.3 34.0 75.7 334 355 A V > - 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