==== 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 HYDROLASE 25-JAN-07 2OOD . COMPND 2 MOLECULE: BLR3880 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 463 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 8.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 4 2 1 0 2 0 0 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 2 1 1 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 . 2 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 1 1 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 3 A L 0 0 197 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -65.0 110.9 50.8 33.0 2 4 A T - 0 0 72 2,-0.0 38,-1.5 0, 0.0 2,-0.4 -0.953 360.0-166.8-133.9 155.1 107.6 50.9 31.1 3 5 A T E +A 39 0A 52 -2,-0.3 57,-0.7 36,-0.2 2,-0.3 -0.932 12.5 176.0-144.0 116.4 104.1 49.3 31.5 4 6 A V E -Ab 38 60A 29 34,-2.3 34,-3.1 -2,-0.4 2,-0.5 -0.859 18.3-142.9-121.8 155.5 101.4 49.2 28.9 5 7 A G E -Ab 37 61A 0 55,-2.2 57,-3.1 -2,-0.3 2,-0.5 -0.964 8.3-151.3-123.5 123.9 98.0 47.7 28.7 6 8 A I E -Ab 36 62A 0 30,-2.9 30,-2.9 -2,-0.5 2,-0.4 -0.775 15.2-168.1 -95.1 130.7 96.4 46.1 25.6 7 9 A R E +Ab 35 63A 54 55,-2.8 57,-2.2 -2,-0.5 2,-0.3 -0.922 33.3 72.4-120.6 144.8 92.7 46.2 25.2 8 10 A G E S-A 34 0A 3 26,-1.9 26,-2.6 -2,-0.4 2,-0.5 -0.948 83.0 -26.1 151.3-169.5 90.4 44.3 22.9 9 11 A T E - b 0 68A 22 58,-0.6 60,-3.6 55,-0.4 2,-0.3 -0.665 61.2-166.2 -79.1 120.4 88.9 40.9 22.0 10 12 A F E +Ab 31 69A 0 21,-2.5 21,-2.3 -2,-0.5 2,-0.3 -0.852 15.1 178.2-112.7 145.8 91.1 38.1 23.2 11 13 A F E +A 30 0A 1 58,-2.2 2,-0.3 -2,-0.3 19,-0.2 -0.928 21.0 135.6-146.5 115.4 91.1 34.4 22.5 12 14 A D E -A 29 0A 1 17,-2.1 17,-2.5 -2,-0.3 2,-0.3 -0.873 42.9 -99.0-148.2-178.3 93.7 31.9 23.8 13 15 A F E +A 28 0A 3 381,-0.4 15,-0.2 -2,-0.3 383,-0.1 -0.834 20.3 177.3-116.2 151.4 93.9 28.4 25.4 14 16 A V S S+ 0 0 67 13,-2.8 2,-0.3 -2,-0.3 14,-0.2 0.376 77.9 11.0-122.5 -5.2 94.2 27.0 28.9 15 17 A D S S- 0 0 61 12,-1.2 -1,-0.2 5,-0.0 367,-0.1 -0.950 91.0 -73.8-160.8 175.6 94.2 23.3 28.0 16 18 A D > - 0 0 6 -2,-0.3 3,-1.3 1,-0.1 358,-0.1 -0.701 28.5-151.8 -83.8 121.6 94.3 20.8 25.1 17 19 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 6,-0.2 0.811 95.8 66.4 -62.1 -29.0 91.1 20.8 23.0 18 20 A W G 3 S+ 0 0 14 1,-0.3 3,-0.4 355,-0.1 6,-0.0 0.799 93.6 60.9 -60.5 -29.8 91.9 17.1 22.1 19 21 A K G < S+ 0 0 139 -3,-1.3 -1,-0.3 1,-0.2 2,-0.1 0.405 100.9 57.4 -78.4 1.3 91.3 16.4 25.8 20 22 A H S X S- 0 0 46 -3,-2.0 3,-2.2 -4,-0.1 -1,-0.2 -0.446 71.3-171.6-132.5 65.5 87.7 17.6 25.5 21 23 A I T 3 S+ 0 0 118 -3,-0.4 -3,-0.1 1,-0.3 346,-0.0 -0.307 79.3 7.1 -58.6 133.9 85.8 15.7 22.9 22 24 A G T 3 S+ 0 0 73 1,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.450 131.8 57.7 75.2 0.1 82.4 17.3 22.2 23 25 A N X + 0 0 82 -3,-2.2 3,-1.3 -6,-0.2 -2,-0.2 -0.179 53.0 146.8-156.3 51.3 83.2 20.2 24.5 24 26 A E G >> + 0 0 27 1,-0.3 3,-3.0 2,-0.2 4,-0.6 0.736 61.0 80.2 -64.3 -24.7 86.3 21.9 23.1 25 27 A Q G >4 S+ 0 0 66 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.830 82.0 68.4 -51.0 -34.1 85.1 25.3 24.3 26 28 A A G <4 S+ 0 0 49 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.635 95.2 53.8 -61.7 -16.4 86.4 24.3 27.7 27 29 A A G <4 S+ 0 0 0 -3,-3.0 -13,-2.8 -7,-0.1 -12,-1.2 0.672 101.7 74.3 -92.3 -17.8 89.9 24.4 26.4 28 30 A A E << -A 13 0A 15 -3,-1.3 2,-0.4 -4,-0.6 -15,-0.2 -0.475 65.0-150.8 -94.1 164.0 89.6 28.0 25.2 29 31 A R E -A 12 0A 45 -17,-2.5 -17,-2.1 -2,-0.2 2,-0.4 -0.979 16.7-171.0-136.4 118.2 89.4 31.3 27.0 30 32 A F E +A 11 0A 38 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.2 -0.939 14.8 178.6-121.0 136.0 87.5 34.2 25.5 31 33 A H E > -A 10 0A 38 -21,-2.3 -21,-2.5 -2,-0.4 3,-0.6 -0.943 10.5-167.8-131.4 106.9 87.3 37.9 26.5 32 34 A Q E 3 S+ 0 0 105 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.879 93.6 14.3 -61.4 -36.4 85.1 40.0 24.3 33 35 A D E 3 S+ 0 0 56 -24,-0.1 16,-3.0 -3,-0.1 -1,-0.3 -0.742 92.0 152.6-140.3 87.3 86.5 43.1 26.0 34 36 A G E < -AC 8 48A 0 -26,-2.6 -26,-1.9 -3,-0.6 2,-0.4 -0.663 32.5-138.9-116.5 172.6 89.7 42.3 28.0 35 37 A L E -AC 7 47A 0 12,-2.7 12,-0.9 -2,-0.2 2,-0.5 -0.995 6.9-163.7-135.1 131.6 92.8 44.0 29.2 36 38 A X E -AC 6 46A 0 -30,-2.9 -30,-2.9 -2,-0.4 2,-0.7 -0.966 9.2-154.7-116.7 123.5 96.3 42.7 29.3 37 39 A V E -AC 5 45A 2 8,-3.0 7,-3.4 -2,-0.5 8,-1.1 -0.872 14.9-174.9-101.8 109.3 98.9 44.6 31.4 38 40 A V E -AC 4 43A 1 -34,-3.1 -34,-2.3 -2,-0.7 2,-0.6 -0.905 8.0-166.8-109.1 128.1 102.4 44.0 30.2 39 41 A T E S-A 3 0A 38 3,-2.6 3,-0.5 -2,-0.5 -36,-0.2 -0.942 78.1 -18.0-117.2 113.2 105.4 45.4 32.1 40 42 A D S S- 0 0 82 -38,-1.5 -1,-0.2 -2,-0.6 -37,-0.1 0.890 131.9 -49.3 60.8 39.5 108.8 45.4 30.2 41 43 A G S S+ 0 0 4 1,-0.2 361,-2.1 -39,-0.1 2,-0.4 0.656 115.9 112.5 76.4 17.8 107.3 42.8 27.8 42 44 A V B S-G 401 0B 35 -3,-0.5 -3,-2.6 359,-0.2 359,-0.2 -0.985 71.7-115.4-127.1 129.0 105.9 40.5 30.4 43 45 A I E +C 38 0A 1 357,-2.5 356,-2.3 -2,-0.4 -5,-0.2 -0.360 36.6 169.5 -58.9 132.5 102.2 39.8 31.1 44 46 A K E + 0 0 114 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.618 65.9 6.4-117.1 -25.7 101.4 41.0 34.6 45 47 A A E +C 37 0A 14 -8,-1.1 -8,-3.0 352,-0.1 -1,-0.4 -0.934 59.4 179.9-161.8 134.4 97.6 40.8 34.6 46 48 A F E +C 36 0A 27 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.0 -0.993 32.2 92.0-137.6 143.3 95.1 39.4 32.1 47 49 A G E S-C 35 0A 7 -12,-0.9 -12,-2.7 -2,-0.3 -16,-0.1 -0.949 73.5 -22.4 159.9-176.2 91.3 39.3 32.4 48 50 A P E > -C 34 0A 60 0, 0.0 4,-1.8 0, 0.0 -14,-0.3 -0.184 65.7-110.8 -57.3 151.3 88.1 41.2 31.6 49 51 A Y H > S+ 0 0 43 -16,-3.0 4,-3.9 2,-0.2 3,-0.4 0.934 108.0 45.1 -48.5 -69.6 88.5 45.0 31.0 50 52 A E H > S+ 0 0 134 1,-0.2 4,-3.0 -17,-0.2 5,-0.3 0.934 114.3 47.7 -42.7 -65.4 86.7 46.6 34.0 51 53 A K H > S+ 0 0 148 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.840 120.4 38.9 -48.7 -39.3 88.2 44.3 36.6 52 54 A I H X S+ 0 0 7 -4,-1.8 4,-1.0 -3,-0.4 -1,-0.2 0.912 113.1 52.8 -80.3 -43.4 91.7 44.8 35.2 53 55 A A H < S+ 0 0 21 -4,-3.9 3,-0.5 -5,-0.3 6,-0.2 0.901 111.6 50.0 -56.9 -41.0 91.4 48.5 34.4 54 56 A A H < S+ 0 0 77 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.875 107.7 50.4 -65.7 -42.6 90.3 49.0 38.0 55 57 A A H < S+ 0 0 65 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.628 114.9 48.0 -73.3 -10.2 93.2 47.1 39.5 56 58 A H S >< S- 0 0 52 -4,-1.0 3,-1.3 -3,-0.5 -1,-0.3 -0.520 74.3-177.8-131.4 66.8 95.6 49.1 37.4 57 59 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.754 73.4 24.2 -29.7 -64.3 94.5 52.8 37.8 58 60 A G T 3 S+ 0 0 76 2,-0.1 2,-0.3 -4,-0.0 -4,-0.1 -0.214 79.3 136.5-113.4 51.5 96.9 54.7 35.5 59 61 A V < - 0 0 32 -3,-1.3 2,-1.2 -6,-0.2 -55,-0.1 -0.728 60.4-111.7 -96.0 142.4 98.2 52.4 32.8 60 62 A E E -b 4 0A 150 -57,-0.7 -55,-2.2 -2,-0.3 2,-0.5 -0.535 37.3-155.9 -68.5 96.7 98.4 53.5 29.2 61 63 A I E -b 5 0A 78 -2,-1.2 2,-0.6 -57,-0.2 -55,-0.2 -0.660 6.4-159.5 -84.5 124.3 95.8 51.3 27.5 62 64 A T E -b 6 0A 55 -57,-3.1 -55,-2.8 -2,-0.5 2,-0.9 -0.893 12.5-147.8 -98.6 118.8 96.3 50.7 23.8 63 65 A H E -b 7 0A 79 -2,-0.6 2,-1.1 -57,-0.2 -55,-0.2 -0.775 9.8-165.8 -97.2 102.9 92.9 49.7 22.2 64 66 A I E - 0 0 8 -57,-2.2 3,-0.5 -2,-0.9 -55,-0.4 -0.738 25.8-157.6 -81.2 102.3 93.3 47.3 19.3 65 67 A K E + 0 0 136 -2,-1.1 3,-0.1 1,-0.2 -57,-0.0 -0.479 56.3 7.0 -88.0 158.2 89.8 47.6 17.9 66 68 A D E S+ 0 0 139 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.777 101.9 105.4 45.9 41.6 87.8 45.2 15.7 67 69 A R E S- 0 0 50 -3,-0.5 2,-0.6 341,-0.1 -58,-0.6 -0.876 70.3-122.9-138.6 169.4 90.4 42.4 15.9 68 70 A I E -bD 9 407A 1 339,-2.2 339,-2.5 -2,-0.3 2,-0.6 -0.967 29.3-150.0-116.9 110.5 90.8 39.0 17.6 69 71 A I E +bD 10 406A 0 -60,-3.6 -58,-2.2 -2,-0.6 337,-0.2 -0.738 24.5 168.2 -86.8 120.4 94.0 39.1 19.6 70 72 A V E - D 0 405A 4 335,-2.4 335,-2.9 -2,-0.6 -58,-0.1 -0.827 41.1 -82.0-126.4 164.0 95.7 35.7 19.9 71 73 A P E - D 0 404A 6 0, 0.0 333,-0.3 0, 0.0 -1,-0.1 -0.265 61.7 -84.0 -62.8 153.8 99.1 34.5 21.2 72 74 A G - 0 0 5 331,-1.7 58,-0.2 1,-0.1 322,-0.2 -0.350 53.3-104.4 -60.4 136.5 102.0 34.8 18.7 73 75 A F E -h 130 0C 0 56,-1.8 58,-1.5 -3,-0.1 59,-1.4 -0.376 27.1-141.7 -67.5 136.1 102.2 31.7 16.4 74 76 A I E -h 132 0C 2 305,-3.1 2,-0.6 56,-0.2 247,-0.3 -0.857 12.6-167.4 -99.7 128.7 104.9 29.1 17.1 75 77 A D E -h 133 0C 0 57,-2.4 59,-2.0 -2,-0.5 3,-0.2 -0.946 2.0-171.2-117.7 107.2 106.5 27.6 14.0 76 78 A G E + 0 0 0 245,-2.3 246,-0.2 -2,-0.6 57,-0.1 0.243 68.8 37.7 -86.9 18.0 108.5 24.6 14.9 77 79 A H E + 0 0 0 244,-0.2 247,-1.7 215,-0.1 2,-0.3 -0.392 63.1 138.5-169.9 85.8 110.3 23.9 11.6 78 80 A I E -h 135 0C 0 56,-1.7 58,-3.3 246,-0.2 2,-0.6 -0.894 40.3-135.5-126.8 159.5 111.7 26.4 9.1 79 81 A H E > -h 136 0C 8 246,-0.6 3,-2.1 -2,-0.3 4,-0.2 -0.912 12.3-161.9-117.2 100.5 114.9 26.6 7.1 80 82 A L G > S+ 0 0 0 56,-2.2 3,-1.7 -2,-0.6 57,-0.2 0.890 88.8 52.4 -46.7 -53.0 116.4 30.1 7.2 81 83 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.462 101.6 63.1 -68.8 1.9 118.6 29.6 4.1 82 84 A Q G X + 0 0 0 -3,-2.1 3,-1.6 243,-0.2 -2,-0.2 0.368 66.9 109.3-105.8 4.8 115.6 28.5 2.0 83 85 A T T < S+ 0 0 24 -3,-1.7 3,-0.4 1,-0.3 -1,-0.1 0.766 83.1 42.6 -48.1 -34.2 113.8 31.8 2.4 84 86 A R T 3 S+ 0 0 170 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.556 113.0 50.4 -95.7 -8.2 114.4 32.6 -1.3 85 87 A V X + 0 0 33 -3,-1.6 3,-0.8 1,-0.1 -1,-0.2 -0.109 61.8 132.6-124.0 40.5 113.7 29.2 -2.9 86 88 A L T 3 + 0 0 52 -3,-0.4 240,-0.3 1,-0.2 -1,-0.1 0.248 69.8 49.5 -78.5 16.1 110.3 28.1 -1.5 87 89 A G T 3 + 0 0 52 -3,-0.1 -1,-0.2 2,-0.0 240,-0.1 -0.010 67.9 164.9-143.5 37.0 108.7 27.0 -4.7 88 90 A A < - 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0 0 0 -3,-2.4 -1,-0.1 -43,-0.2 -44,-0.0 -0.917 63.2-148.4-132.4 109.3 124.8 12.2 9.1 210 212 A S > - 0 0 5 -2,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.276 37.5-104.5 -65.4 157.3 127.6 9.7 9.5 211 213 A P H > S+ 0 0 25 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.731 123.1 58.0 -58.9 -18.2 127.7 7.9 12.8 212 214 A E H > S+ 0 0 105 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.928 104.9 48.5 -74.9 -44.8 130.6 10.2 13.8 213 215 A L H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.905 114.9 45.3 -59.9 -42.6 128.5 13.4 13.2 214 216 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.823 109.9 54.6 -71.9 -29.3 125.7 11.9 15.3 215 217 A K H X S+ 0 0 105 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.849 107.1 52.5 -70.5 -30.9 128.2 10.8 17.9 216 218 A A H X S+ 0 0 13 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.907 107.2 50.3 -68.1 -43.1 129.3 14.4 18.0 217 219 A C H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.874 108.6 54.3 -62.0 -37.3 125.7 15.6 18.6 218 220 A Q H X S+ 0 0 53 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.949 109.2 46.6 -61.2 -49.7 125.5 13.0 21.4 219 221 A R H X S+ 0 0 128 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.933 112.4 50.5 -57.9 -48.4 128.6 14.5 23.0 220 222 A L H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.932 110.0 49.1 -55.8 -48.7 127.2 18.0 22.6 221 223 A K H < S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.821 111.5 51.7 -62.3 -29.8 123.9 17.1 24.2 222 224 A H H < S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.7 42.1 -75.2 -37.8 125.8 15.5 27.0 223 225 A E H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.545 126.0 37.2 -84.8 -8.9 128.0 18.5 27.8 224 226 A H >< + 0 0 45 -4,-1.2 3,-2.5 -5,-0.2 -1,-0.2 -0.440 64.9 169.2-142.5 63.9 125.0 20.8 27.3 225 227 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.721 76.5 61.8 -48.6 -27.0 121.9 19.1 28.8 226 228 A D T 3 S+ 0 0 77 -3,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.688 84.4 100.1 -77.9 -18.0 119.8 22.3 28.5 227 229 A C S < S- 0 0 1 -3,-2.5 -27,-0.2 -7,-0.2 2,-0.1 -0.350 71.3-123.6 -71.4 149.3 120.2 22.5 24.7 228 230 A W E -m 200 0E 12 -29,-2.5 -27,-3.5 -68,-0.1 2,-0.4 -0.346 13.4-137.6 -83.0 167.4 117.5 21.4 22.3 229 231 A V E -mo 201 267E 0 37,-2.8 39,-1.9 -29,-0.3 2,-0.4 -0.998 21.4-175.1-130.0 125.0 117.9 18.8 19.5 230 232 A N E + o 0 268E 0 -29,-2.5 2,-0.2 -2,-0.4 39,-0.2 -0.985 20.2 124.7-128.3 128.4 116.4 19.5 16.1 231 233 A T E - o 0 269E 0 37,-2.4 39,-2.6 -2,-0.4 2,-0.3 -0.861 49.7 -90.3-158.7-169.3 116.2 17.2 13.1 232 234 A H E -no 205 270E 10 -28,-0.7 -26,-0.6 -29,-0.4 2,-0.3 -0.913 32.5-175.4-119.5 149.2 114.2 15.4 10.5 233 235 A I - 0 0 0 37,-2.3 41,-0.2 -2,-0.3 42,-0.1 -0.971 57.8 -17.8-151.3 129.4 112.6 11.9 10.7 234 236 A S S S+ 0 0 2 -2,-0.3 40,-2.2 40,-0.1 41,-0.2 0.834 75.5 141.1 48.7 50.1 110.7 9.6 8.3 235 237 A E + 0 0 11 1,-0.2 -1,-0.1 38,-0.2 -142,-0.1 0.848 62.4 24.7 -90.0 -34.4 109.7 12.2 5.7 236 238 A N > - 0 0 2 1,-0.1 4,-2.5 -144,-0.1 -1,-0.2 -0.958 67.5-130.5-132.6 147.5 110.1 10.4 2.4 237 239 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.967 112.2 46.1 -61.3 -51.3 110.0 6.7 1.4 238 240 A A H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 113.6 51.6 -56.9 -38.9 113.2 6.8 -0.6 239 241 A E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 50.8 -64.3 -41.8 114.8 8.8 2.3 240 242 A C H X S+ 0 0 28 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.893 110.4 48.8 -63.6 -41.3 113.6 6.1 4.8 241 243 A S H X S+ 0 0 79 -4,-2.4 4,-0.9 2,-0.2 3,-0.3 0.958 111.5 49.0 -62.7 -52.1 115.2 3.3 2.7 242 244 A G H >X S+ 0 0 15 -4,-2.4 4,-3.6 1,-0.2 3,-0.8 0.886 106.7 56.7 -54.8 -44.0 118.5 5.1 2.3 243 245 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.890 106.1 48.4 -56.3 -45.0 118.7 5.8 6.0 244 246 A L H 3< S+ 0 0 71 -4,-1.5 -1,-0.3 -3,-0.3 6,-0.2 0.663 115.0 48.3 -71.8 -14.6 118.4 2.1 6.9 245 247 A V H << S+ 0 0 104 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.896 111.9 45.4 -87.2 -49.4 121.1 1.6 4.3 246 248 A E H < S+ 0 0 53 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.665 124.8 38.6 -65.4 -17.5 123.4 4.4 5.6 247 249 A H >< + 0 0 2 -4,-1.3 3,-1.4 -5,-0.3 -1,-0.3 -0.617 70.0 167.5-135.8 73.3 122.7 3.0 9.1 248 250 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.668 72.1 63.8 -60.1 -22.2 122.7 -0.9 8.7 249 251 A D T 3 S+ 0 0 86 -3,-0.1 2,-0.4 -4,-0.1 -4,-0.1 0.193 90.2 81.6 -93.5 17.2 122.8 -1.4 12.4 250 252 A C < - 0 0 15 -3,-1.4 -3,-0.1 -6,-0.2 6,-0.1 -0.967 61.1-152.4-127.8 142.5 119.4 0.2 13.2 251 253 A Q S S+ 0 0 155 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.899 77.2 8.5 -76.8 -46.6 115.8 -1.1 12.9 252 254 A D S >> S- 0 0 28 1,-0.1 4,-1.1 -9,-0.0 3,-0.6 -0.906 78.7-101.6-135.2 164.7 113.8 2.1 12.3 253 255 A Y H >> S+ 0 0 8 -2,-0.3 3,-0.9 1,-0.3 4,-0.9 0.902 123.8 49.5 -51.8 -46.2 114.5 5.8 11.6 254 256 A L H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.833 102.1 65.7 -63.0 -30.1 113.8 6.8 15.2 255 257 A G H <> S+ 0 0 12 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.821 92.1 60.9 -61.7 -32.2 116.2 4.0 16.2 256 258 A V H << S+ 0 0 0 -4,-1.1 4,-0.3 -3,-0.9 -1,-0.2 0.918 108.4 42.5 -61.4 -44.5 119.1 5.8 14.6 257 259 A Y H ><>S+ 0 0 0 -4,-0.9 5,-2.3 -3,-0.3 3,-0.7 0.779 110.8 55.3 -73.8 -29.1 118.7 8.8 16.9 258 260 A E H ><5S+ 0 0 41 -4,-1.6 3,-2.2 1,-0.2 -1,-0.2 0.831 93.9 69.1 -72.0 -31.8 118.1 6.7 20.0 259 261 A K T 3<5S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.751 108.6 38.8 -56.6 -21.6 121.4 4.9 19.4 260 262 A F T < 5S- 0 0 4 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.095 114.4-112.2-118.5 23.2 122.9 8.3 20.3 261 263 A D T < 5S+ 0 0 116 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.744 78.7 127.4 53.6 29.2 120.6 9.4 23.2 262 264 A L < + 0 0 5 -5,-2.3 2,-0.4 2,-0.0 -4,-0.2 0.779 46.9 87.5 -83.6 -27.5 119.2 12.2 21.1 263 265 A V + 0 0 16 -6,-0.5 25,-0.0 -9,-0.1 3,-0.0 -0.612 65.1 70.1 -80.8 125.2 115.5 11.2 21.6 264 266 A G S > S- 0 0 10 -2,-0.4 3,-1.4 -35,-0.1 25,-0.3 -0.959 88.2 -4.4 163.0-162.4 113.9 12.7 24.7 265 267 A P T 3 S+ 0 0 74 0, 0.0 23,-0.2 0, 0.0 3,-0.1 -0.211 127.0 20.3 -55.7 143.1 112.7 16.1 26.0 266 268 A K T 3 S+ 0 0 36 21,-0.4 -37,-2.8 1,-0.3 2,-0.4 0.626 92.4 129.4 73.2 14.4 113.5 19.0 23.7 267 269 A F E < -o 229 0E 1 -3,-1.4 22,-2.5 20,-0.2 2,-0.5 -0.860 38.0-168.7-100.1 134.5 113.9 16.7 20.7 268 270 A S E -op 230 289E 0 -39,-1.9 -37,-2.4 -2,-0.4 2,-0.6 -0.981 6.8-168.4-128.0 121.7 112.0 17.6 17.5 269 271 A G E -op 231 290E 0 20,-2.5 22,-1.9 -2,-0.5 -37,-0.3 -0.925 21.7-136.8-109.4 110.9 111.7 15.3 14.6 270 272 A G E S+op 232 291E 0 -39,-2.6 -37,-2.3 -2,-0.6 22,-0.2 -0.384 70.4 12.4 -71.0 141.9 110.2 16.9 11.5 271 273 A H - 0 0 0 20,-2.9 3,-0.4 -39,-0.1 -38,-0.2 0.982 56.6-161.4 64.2 90.0 107.6 15.3 9.4 272 274 A G > + 0 0 1 1,-0.2 2,-2.1 19,-0.2 3,-0.7 0.987 50.8 125.1 -61.5 -53.9 106.1 12.2 11.0 273 275 A V T 3 S+ 0 0 11 1,-0.3 -1,-0.2 30,-0.1 -38,-0.2 0.021 77.8 28.9 29.5 -58.1 104.8 10.9 7.7 274 276 A Y T 3 S+ 0 0 103 -40,-2.2 -1,-0.3 -2,-2.1 2,-0.2 0.091 86.1 127.7-116.2 28.1 106.4 7.4 7.8 275 277 A L < - 0 0 5 -3,-0.7 2,-0.1 -41,-0.2 31,-0.1 -0.584 53.9-128.1 -82.9 143.9 106.7 6.7 11.5 276 278 A S > - 0 0 46 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.399 25.1-108.7 -84.7 165.4 105.3 3.4 12.8 277 279 A N H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.847 123.5 55.9 -62.5 -31.6 102.9 3.2 15.8 278 280 A N H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 106.2 48.8 -64.8 -46.2 105.8 1.7 17.7 279 281 A E H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 111.6 50.1 -61.8 -39.3 107.9 4.8 16.9 280 282 A F H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.958 110.6 49.4 -63.8 -48.7 105.1 7.0 18.0 281 283 A R H X S+ 0 0 98 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.876 109.5 52.3 -58.0 -39.0 104.7 5.1 21.3 282 284 A R H X S+ 0 0 44 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.922 111.0 46.1 -64.4 -44.5 108.4 5.3 21.9 283 285 A X H X>S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-1.4 0.941 110.4 53.3 -63.2 -46.5 108.5 9.1 21.4 284 286 A S H <5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.914 112.4 46.7 -53.1 -43.9 105.4 9.6 23.6 285 287 A K H <5S+ 0 0 180 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.923 116.5 40.9 -65.9 -48.3 107.2 7.6 26.3 286 288 A K H <5S- 0 0 83 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.610 111.8-117.0 -78.1 -12.2 110.6 9.4 26.1 287 289 A G T <5 + 0 0 13 -4,-2.0 -21,-0.4 1,-0.2 -20,-0.2 0.631 61.9 149.0 86.9 13.7 108.9 12.8 25.7 288 290 A A < - 0 0 0 -5,-1.4 30,-0.8 -6,-0.2 2,-0.3 -0.377 35.8-135.8 -76.7 160.4 110.2 13.6 22.3 289 291 A A E -pq 268 318E 0 -22,-2.5 -20,-2.5 -25,-0.3 2,-0.3 -0.881 6.7-147.5-123.2 153.6 108.1 15.7 19.9 290 292 A V E -pq 269 319E 0 28,-2.4 30,-1.0 -2,-0.3 2,-0.6 -0.861 13.7-138.6-114.7 150.2 107.2 15.5 16.2 291 293 A V E -pq 270 320E 0 -22,-1.9 -20,-2.9 -2,-0.3 2,-0.7 -0.936 10.8-147.8-116.1 112.9 106.6 18.5 13.9 292 294 A F E + q 0 321E 0 28,-1.1 30,-2.5 -2,-0.6 -216,-0.1 -0.680 18.5 177.7 -80.7 108.7 103.7 18.2 11.5 293 295 A C > + 0 0 0 -2,-0.7 4,-2.5 28,-0.2 3,-0.4 -0.648 6.1 168.6-115.0 75.0 104.5 20.2 8.3 294 296 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.829 72.9 55.4 -54.4 -43.5 101.5 19.6 6.0 295 297 A C H > S+ 0 0 1 27,-0.4 4,-2.2 1,-0.2 5,-0.1 0.904 114.7 41.1 -59.4 -41.9 102.3 22.2 3.3 296 298 A S H > S+ 0 0 0 -3,-0.4 4,-2.9 27,-0.3 6,-0.4 0.929 110.7 56.3 -70.3 -48.0 105.7 20.6 2.8 297 299 A N H <>S+ 0 0 0 -4,-2.5 6,-1.4 1,-0.2 5,-0.7 0.869 115.6 38.6 -52.5 -40.9 104.4 17.1 3.0 298 300 A L H <5S+ 0 0 75 -4,-2.3 3,-0.5 3,-0.2 -1,-0.2 0.885 114.4 52.5 -78.8 -41.9 102.0 17.9 0.2 299 301 A F H <5S+ 0 0 75 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.904 117.5 37.2 -61.9 -42.9 104.3 20.0 -1.9 300 302 A L T <5S- 0 0 4 -4,-2.9 -207,-0.4 -5,-0.1 -1,-0.2 0.475 111.2-117.8 -89.2 -2.5 107.1 17.4 -2.0 301 303 A G T 5 + 0 0 52 -3,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.555 68.1 141.4 79.1 7.2 104.7 14.5 -2.3 302 304 A S < - 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