==== 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 29-SEP-05 2B5V . COMPND 2 MOLECULE: GLUCOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOFERAX MEDITERRANEI; . AUTHOR K.L.BRITTON,P.J.BAKER,M.FISHER,S.RUZHEINIKOV,D.J.GILMOUR,M.- . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.4 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 0.6 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 . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 2 0 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 1 0 1 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 2 0 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 1 A M 0 0 32 0, 0.0 16,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.4 53.5 16.0 36.2 2 2 A K E +A 16 0A 108 14,-0.2 123,-2.1 12,-0.0 2,-0.3 -0.703 360.0 176.3 -91.8 143.5 51.1 18.9 36.5 3 3 A A E -AB 15 124A 0 12,-2.3 12,-3.1 -2,-0.3 2,-0.6 -0.961 28.7-126.0-142.3 154.1 49.8 20.2 39.9 4 4 A I E +A 14 0A 1 119,-2.8 56,-2.0 -2,-0.3 2,-0.3 -0.928 46.3 153.5-104.6 122.5 47.6 23.0 41.0 5 5 A A E -AC 13 59A 0 8,-2.7 8,-2.9 -2,-0.6 2,-0.5 -0.868 44.5-121.2-143.0 174.9 49.2 25.3 43.5 6 6 A V E - C 0 58A 2 52,-1.7 52,-2.0 -2,-0.3 2,-0.3 -0.992 28.7-147.5-121.2 125.8 49.5 28.7 45.1 7 7 A K E - C 0 57A 123 -2,-0.5 50,-0.3 4,-0.4 2,-0.1 -0.652 38.2 -84.4 -91.1 151.4 52.9 30.4 44.9 8 8 A R 0 0 131 48,-2.3 -1,-0.1 -2,-0.3 48,-0.0 -0.366 360.0 360.0 -55.3 120.4 54.0 32.7 47.7 9 9 A G 0 0 102 -2,-0.1 -2,-0.2 37,-0.1 37,-0.0 0.385 360.0 360.0 113.9 360.0 52.5 36.0 46.7 10 ! 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 11 12 A R 0 0 236 0, 0.0 -4,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 150.5 45.4 32.9 42.7 12 13 A P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.519 360.0 178.5 -75.6 138.8 45.7 29.2 41.8 13 14 A V E -A 5 0A 58 -8,-2.9 -8,-2.7 -2,-0.2 2,-0.3 -0.934 31.9-102.0-138.6 163.3 48.1 28.2 39.0 14 15 A V E -A 4 0A 66 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.667 39.6-176.8 -86.5 138.9 49.4 25.2 37.2 15 16 A I E -A 3 0A 25 -12,-3.1 -12,-2.3 -2,-0.3 2,-0.4 -0.921 19.4-132.5-133.8 154.5 52.8 24.1 38.1 16 17 A E E +A 2 0A 140 -2,-0.3 -14,-0.2 -14,-0.2 -12,-0.0 -0.922 32.3 159.4-112.7 135.4 55.1 21.3 36.8 17 18 A K - 0 0 43 -16,-2.9 -2,-0.0 -2,-0.4 0, 0.0 -0.988 44.1 -82.8-150.6 159.0 57.0 18.9 39.1 18 19 A P - 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.253 49.5-106.9 -59.5 147.3 58.6 15.5 39.1 19 20 A R - 0 0 139 1,-0.1 108,-0.1 106,-0.0 -17,-0.0 -0.630 43.8-118.6 -72.8 129.2 56.3 12.5 39.6 20 21 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 107,-0.1 -0.251 18.5-136.3 -68.3 161.9 57.1 11.3 43.1 21 22 A E - 0 0 174 7,-0.0 2,-0.2 107,-0.0 107,-0.1 -0.969 24.2-112.8-117.0 133.5 58.4 7.8 43.8 22 23 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.464 25.4-146.6 -70.3 129.4 57.0 5.7 46.6 23 24 A E > - 0 0 146 -2,-0.2 3,-2.1 1,-0.2 50,-0.2 -0.314 49.9 -59.2 -81.3 176.1 59.3 5.0 49.5 24 25 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.308 129.9 22.6 -58.2 137.0 59.0 1.7 51.3 25 26 A G T 3 S+ 0 0 33 1,-0.3 106,-3.0 -3,-0.1 107,-0.3 0.342 107.1 102.0 87.9 -7.3 55.5 1.2 52.8 26 27 A E E < -D 130 0B 36 -3,-2.1 47,-0.4 104,-0.3 2,-0.3 -0.762 57.2-148.4-110.7 154.9 54.0 3.7 50.3 27 28 A A E -D 129 0B 0 102,-2.2 102,-1.2 -2,-0.3 2,-0.6 -0.863 19.7-120.8-118.2 157.1 52.0 3.2 47.2 28 29 A L E -DE 128 70B 10 42,-2.6 41,-2.7 -2,-0.3 42,-1.7 -0.859 32.2-164.1 -97.7 124.6 51.9 5.5 44.0 29 30 A V E -DE 127 68B 0 98,-3.4 98,-2.2 -2,-0.6 2,-0.7 -0.911 16.7-143.0-115.6 136.7 48.4 6.8 43.4 30 31 A R E -DE 126 67B 64 37,-3.1 37,-2.4 -2,-0.4 96,-0.3 -0.859 32.6-123.2 -94.7 116.3 47.1 8.3 40.1 31 32 A T E + E 0 66B 0 94,-1.7 35,-0.3 -2,-0.7 3,-0.1 -0.333 32.1 176.8 -62.1 135.2 44.7 11.1 41.2 32 33 A L E - 0 0 8 33,-2.4 321,-2.5 1,-0.4 322,-1.5 0.839 64.7 -10.8-100.5 -64.1 41.1 10.8 39.8 33 34 A R E -FE 352 65B 48 32,-1.3 32,-1.6 319,-0.2 2,-0.4 -0.986 54.2-161.9-140.6 147.2 39.2 13.8 41.3 34 35 A V E -FE 351 64B 0 317,-2.0 317,-2.8 -2,-0.3 30,-0.2 -1.000 19.6-133.6-131.7 128.8 39.9 16.3 44.1 35 36 A G E -FE 350 63B 0 28,-3.0 28,-0.6 -2,-0.4 2,-0.4 -0.436 15.0-129.2 -80.8 155.6 37.2 18.3 45.8 36 37 A V E +F 349 0B 7 313,-2.4 313,-0.5 -2,-0.1 2,-0.3 -0.893 32.7 178.7-105.5 138.3 37.5 22.0 46.4 37 38 A D > - 0 0 44 -2,-0.4 4,-1.3 311,-0.1 3,-0.3 -0.804 44.2 -95.2-132.8 172.9 36.8 23.3 49.9 38 39 A G H > S+ 0 0 35 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 0.883 120.0 57.4 -55.2 -41.9 36.8 26.5 52.0 39 40 A T H > S+ 0 0 42 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.923 102.6 55.1 -58.4 -43.3 40.3 25.9 53.2 40 41 A D H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.869 108.9 48.3 -56.8 -37.0 41.5 25.9 49.6 41 42 A H H X S+ 0 0 52 -4,-1.3 4,-1.1 -3,-0.3 -1,-0.2 0.898 106.3 56.6 -70.7 -38.7 39.9 29.3 49.2 42 43 A E H X>S+ 0 0 124 -4,-2.5 4,-2.4 2,-0.2 5,-2.0 0.935 109.7 46.4 -55.3 -48.1 41.5 30.5 52.4 43 44 A V H <5S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.972 110.1 50.6 -59.0 -56.1 44.9 29.7 50.9 44 45 A I H <5S+ 0 0 33 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.713 112.5 54.9 -56.2 -15.2 44.1 31.3 47.6 45 46 A A H <5S- 0 0 82 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.971 135.0 -67.4 -81.4 -68.2 43.1 34.2 49.8 46 47 A G T <5S+ 0 0 49 -4,-2.4 2,-3.5 -5,-0.1 -3,-0.2 0.335 90.3 123.9-164.8 -14.3 46.1 34.9 51.9 47 48 A G < + 0 0 42 -5,-2.0 3,-0.3 1,-0.2 -2,-0.1 -0.275 26.0 141.7 -60.8 70.0 46.6 32.0 54.2 48 49 A H > + 0 0 32 -2,-3.5 3,-0.8 1,-0.2 -1,-0.2 0.208 43.4 91.6 -97.3 13.7 50.1 31.4 53.0 49 50 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.886 72.9 65.6 -74.8 -38.8 51.3 30.5 56.4 50 51 A G T 3 S+ 0 0 17 -3,-0.3 68,-3.5 66,-0.2 69,-0.3 0.334 74.3 133.6 -67.5 9.4 50.7 26.8 56.0 51 52 A F < - 0 0 14 -3,-0.8 2,-0.1 66,-0.2 7,-0.1 -0.268 65.8-100.5 -62.6 146.3 53.4 26.5 53.3 52 53 A P > - 0 0 10 0, 0.0 3,-2.3 0, 0.0 5,-0.2 -0.438 49.4 -90.6 -68.4 139.2 55.9 23.7 53.6 53 54 A E T 3 S+ 0 0 182 65,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.197 110.2 7.4 -51.9 130.9 59.3 24.7 55.0 54 55 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.466 104.8 117.4 75.9 1.9 61.7 25.7 52.3 55 56 A E < - 0 0 61 -3,-2.3 -1,-0.2 1,-0.1 -4,-0.0 -0.773 54.8-156.3-104.4 145.5 59.1 25.6 49.6 56 57 A D S S+ 0 0 120 -2,-0.3 -48,-2.3 -3,-0.1 2,-0.3 0.247 78.4 37.0-102.7 14.8 57.8 28.6 47.5 57 58 A H E -C 7 0A 25 -50,-0.3 2,-0.4 -5,-0.2 -50,-0.2 -0.980 64.1-141.8-156.4 163.3 54.5 27.0 46.8 58 59 A L E -C 6 0A 0 -52,-2.0 -52,-1.7 -2,-0.3 2,-0.4 -0.971 19.0-137.4-133.7 116.7 51.7 24.8 48.2 59 60 A V E -C 5 0A 3 -2,-0.4 62,-2.5 -54,-0.2 -54,-0.3 -0.632 33.4-133.3 -72.2 129.7 49.9 22.2 46.1 60 61 A L + 0 0 0 -56,-2.0 63,-2.6 -2,-0.4 62,-0.3 -0.115 53.2 70.5 -79.8 174.1 46.2 22.5 47.0 61 62 A G - 0 0 0 54,-0.5 61,-2.0 60,-0.2 62,-0.2 0.650 25.4-179.5 91.2 122.2 43.5 19.9 47.9 62 63 A H S S+ 0 0 7 -27,-0.3 2,-0.8 59,-0.2 -26,-0.1 0.462 70.7 76.7-126.4 -6.9 42.8 17.6 50.8 63 64 A E E +E 35 0B 3 -28,-0.6 -28,-3.0 52,-0.1 2,-0.3 -0.868 69.7 149.8-106.3 101.2 39.6 15.8 49.6 64 65 A A E -E 34 0B 0 -2,-0.8 2,-0.3 20,-0.3 -30,-0.2 -0.877 35.6-168.8-137.0 163.5 40.7 13.2 47.1 65 66 A V E +E 33 0B 0 -32,-1.6 -33,-2.4 -2,-0.3 -32,-1.3 -0.979 24.1 157.6-145.0 141.0 40.1 9.9 45.5 66 67 A G E -EG 31 82B 0 16,-2.5 16,-2.7 -2,-0.3 2,-0.4 -0.911 36.4-105.3-152.6-179.5 42.6 8.0 43.2 67 68 A V E -EG 30 81B 7 -37,-2.4 -37,-3.1 -2,-0.3 2,-0.4 -0.947 33.7-115.6-120.0 136.7 43.6 4.7 41.8 68 69 A V E +E 29 0B 2 12,-2.5 11,-3.0 -2,-0.4 -39,-0.2 -0.573 35.7 169.8 -70.8 122.2 46.7 2.7 42.9 69 70 A V E S+ 0 0 37 -41,-2.7 -40,-0.2 -2,-0.4 -1,-0.2 0.679 73.5 26.0-106.8 -24.9 49.1 2.4 40.0 70 71 A D E -E 28 0B 66 -42,-1.7 -42,-2.6 7,-0.1 -1,-0.3 -0.856 58.5-171.8-142.8 105.4 52.1 1.0 41.9 71 72 A P > - 0 0 23 0, 0.0 3,-2.7 0, 0.0 5,-0.3 0.611 24.3-176.0 -67.0 -16.8 51.5 -1.0 45.1 72 73 A N T 3 - 0 0 68 1,-0.3 -45,-0.1 3,-0.1 -48,-0.1 -0.187 65.5 -25.7 48.8-134.0 55.2 -1.1 45.7 73 74 A D T 3 S+ 0 0 90 -47,-0.4 -1,-0.3 -50,-0.2 2,-0.2 0.146 114.8 104.3 -96.8 26.5 55.8 -3.2 48.8 74 75 A T S < S- 0 0 16 -3,-2.7 -48,-0.1 -48,-0.2 -50,-0.0 -0.488 82.1-111.9 -98.9 172.3 52.3 -2.7 50.4 75 76 A E S S+ 0 0 163 -2,-0.2 2,-0.1 2,-0.1 -3,-0.1 0.224 82.1 108.8 -88.3 13.9 49.4 -5.0 50.5 76 77 A L - 0 0 11 -5,-0.3 2,-0.3 -6,-0.0 -2,-0.1 -0.421 63.5-131.1 -83.0 166.8 47.3 -2.8 48.2 77 78 A E > - 0 0 132 -2,-0.1 3,-2.3 -7,-0.1 -9,-0.3 -0.914 26.3 -94.8-121.3 147.1 46.6 -4.0 44.6 78 79 A E T 3 S+ 0 0 147 -2,-0.3 -9,-0.2 1,-0.3 3,-0.1 -0.363 113.7 26.0 -53.7 134.3 46.9 -2.2 41.3 79 80 A G T 3 S+ 0 0 42 -11,-3.0 -1,-0.3 1,-0.3 -10,-0.1 0.363 83.4 143.8 90.6 -6.8 43.6 -0.7 40.4 80 81 A D < - 0 0 31 -3,-2.3 -12,-2.5 -12,-0.2 2,-0.6 -0.473 50.3-129.8 -65.6 141.2 42.4 -0.4 44.0 81 82 A I E +G 67 0B 7 56,-0.4 56,-2.2 -14,-0.2 2,-0.3 -0.836 37.1 180.0 -92.3 123.2 40.3 2.8 44.4 82 83 A V E -GH 66 136B 0 -16,-2.7 -16,-2.5 -2,-0.6 54,-0.2 -0.917 28.0-154.5-129.9 154.8 41.6 4.7 47.5 83 84 A V E - H 0 135B 0 52,-2.2 52,-2.7 -2,-0.3 2,-0.2 -0.994 25.5-136.2-120.8 126.0 41.0 7.8 49.5 84 85 A P E - H 0 134B 0 0, 0.0 -20,-0.3 0, 0.0 50,-0.2 -0.551 12.2-125.1 -83.9 151.3 43.9 9.3 51.5 85 86 A T - 0 0 1 48,-2.1 29,-0.1 -2,-0.2 219,-0.1 -0.471 21.2-130.8 -81.2 168.0 43.6 10.6 55.1 86 87 A V S S+ 0 0 2 217,-0.3 28,-2.5 -2,-0.1 2,-0.2 0.856 72.9 80.8 -94.0 -38.6 44.8 14.1 55.6 87 88 A R E +J 113 0C 6 216,-0.3 26,-0.2 26,-0.2 -2,-0.1 -0.484 49.1 176.2 -80.0 140.6 47.2 14.2 58.6 88 89 A R E -J 112 0C 21 24,-2.2 24,-2.5 -2,-0.2 10,-0.0 -0.960 41.3 -82.9-137.7 153.6 50.9 13.2 58.4 89 90 A P - 0 0 44 0, 0.0 5,-0.2 0, 0.0 22,-0.2 -0.192 53.3-112.1 -54.0 144.6 53.7 13.2 61.0 90 91 A P > - 0 0 12 0, 0.0 3,-1.8 0, 0.0 22,-0.1 -0.184 36.5 -88.2 -75.1 174.6 55.4 16.6 61.4 91 92 A A T 3 S+ 0 0 82 1,-0.3 3,-0.1 20,-0.1 21,-0.0 0.824 125.6 64.0 -50.6 -36.9 59.0 17.3 60.3 92 93 A S T 3 S- 0 0 109 1,-0.2 -1,-0.3 0, 0.0 18,-0.0 0.168 113.8-111.8 -76.0 17.4 60.2 16.3 63.7 93 94 A G < - 0 0 32 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.0 -0.021 52.7 -26.5 80.0 175.3 59.0 12.7 63.1 94 95 A T - 0 0 75 -5,-0.2 2,-0.3 -3,-0.1 17,-0.0 0.149 56.1-175.8 -54.4 174.3 56.2 10.6 64.6 95 96 A N > - 0 0 24 15,-0.0 4,-3.1 1,-0.0 3,-0.5 -0.913 46.5 -71.5-160.7-178.9 54.8 11.0 68.1 96 97 A E H > S+ 0 0 111 -2,-0.3 4,-2.7 1,-0.2 6,-0.2 0.818 124.5 57.8 -56.6 -36.9 52.3 9.4 70.4 97 98 A Y H 4>S+ 0 0 52 1,-0.2 5,-3.5 2,-0.2 -1,-0.2 0.918 115.5 35.8 -63.5 -39.4 49.3 10.5 68.4 98 99 A F H >45S+ 0 0 2 -3,-0.5 3,-1.2 3,-0.2 -2,-0.2 0.886 114.9 57.7 -80.1 -35.3 50.5 8.8 65.3 99 100 A E H 3<5S+ 0 0 131 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.929 112.9 39.1 -57.3 -48.0 52.0 5.9 67.3 100 101 A R T 3<5S- 0 0 188 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.362 117.7-112.4 -83.6 1.9 48.7 5.0 68.8 101 102 A D T < 5S+ 0 0 89 -3,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.864 85.7 111.5 69.3 38.7 46.8 5.7 65.6 102 103 A Q > < + 0 0 92 -5,-3.5 3,-2.1 -6,-0.2 4,-0.2 -0.348 22.2 146.4-132.9 52.7 44.9 8.8 66.7 103 104 A P G > + 0 0 1 0, 0.0 3,-1.6 0, 0.0 -5,-0.1 0.777 67.5 69.5 -62.5 -21.2 46.5 11.5 64.6 104 105 A D G 3 S+ 0 0 11 1,-0.3 197,-0.2 -7,-0.2 -6,-0.0 0.691 98.7 51.2 -67.5 -16.5 43.1 13.3 64.4 105 106 A M G < S+ 0 0 84 -3,-2.1 -1,-0.3 -8,-0.1 197,-0.0 0.344 83.5 121.3 -98.7 2.3 43.5 14.0 68.2 106 107 A A < - 0 0 7 -3,-1.6 3,-0.1 -4,-0.2 5,-0.1 -0.410 60.9-123.9 -69.0 139.3 47.0 15.5 67.8 107 108 A P > - 0 0 58 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.292 43.1 -62.9 -81.5 170.7 47.4 19.1 69.0 108 109 A D T 3 S+ 0 0 149 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.106 123.5 20.5 -47.3 138.7 48.6 22.1 67.1 109 110 A G T 3 S+ 0 0 57 2,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.313 101.6 90.5 82.0 -10.8 52.2 21.7 65.9 110 111 A M S < S+ 0 0 62 -3,-2.4 2,-0.3 -7,-0.1 -2,-0.1 0.099 90.8 26.0-105.6 26.2 52.2 17.9 66.2 111 112 A Y - 0 0 37 -22,-0.2 2,-0.3 -5,-0.1 -2,-0.3 -0.984 63.3-130.6-169.4 166.2 51.1 17.2 62.6 112 113 A F E -J 88 0C 60 -24,-2.5 -24,-2.2 -2,-0.3 2,-0.5 -0.905 16.6-147.5-120.0 154.2 50.9 18.4 59.1 113 114 A E E >> -Jl 87 118C 20 4,-2.2 4,-3.0 -2,-0.3 3,-2.5 -0.976 25.8-122.4-124.1 113.9 47.7 18.4 57.0 114 115 A R E 34 S+ l 0 119C 38 -28,-2.5 7,-0.3 -2,-0.5 6,-0.2 -0.313 96.4 11.1 -58.4 131.1 48.3 17.8 53.3 115 116 A G T 34 S+ 0 0 0 4,-2.6 -54,-0.5 6,-0.2 -1,-0.3 0.411 133.1 52.3 79.6 0.6 47.0 20.6 51.2 116 117 A I T <4 S+ 0 0 39 -3,-2.5 2,-0.4 3,-0.5 -2,-0.2 0.641 111.6 10.6-131.2 -54.0 46.4 22.7 54.3 117 118 A V B < S-K 113 0C 51 -4,-3.0 -4,-2.2 2,-0.2 -66,-0.2 -0.927 118.9 -20.2-146.9 123.2 49.5 23.0 56.5 118 119 A G E S+l 113 0C 14 -68,-3.5 2,-0.3 -2,-0.4 -65,-0.3 0.290 114.5 66.0 75.5 -7.8 53.1 22.1 56.2 119 120 A A E S-l 114 0C 18 -6,-0.6 -4,-2.6 -69,-0.3 -3,-0.5 -0.999 84.7 -98.5-150.1 144.4 52.6 19.6 53.4 120 121 A H - 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0 0 8 -5,-2.2 2,-0.6 -6,-0.2 -20,-0.2 -0.673 59.4-108.2-106.4 168.2 13.9 19.6 56.7 223 224 A T E -o 202 0D 60 -22,-2.3 -20,-2.6 -2,-0.2 2,-0.5 -0.850 25.4-138.2-101.1 125.0 12.9 23.1 57.9 224 225 A Y E -o 203 0D 21 -2,-0.6 2,-0.6 -22,-0.2 -20,-0.2 -0.679 16.6-162.4 -81.3 124.9 14.9 26.0 56.6 225 226 A V E -o 204 0D 0 -22,-3.1 -20,-2.5 -2,-0.5 2,-0.7 -0.948 8.4-148.9-112.3 120.8 15.6 28.6 59.3 226 227 A D E >> -o 205 0D 23 -2,-0.6 4,-2.7 -22,-0.2 3,-1.6 -0.784 4.0-154.5 -88.1 113.7 16.7 32.1 58.1 227 228 A S T 34 S+ 0 0 31 -22,-3.0 -21,-0.2 -2,-0.7 -1,-0.1 0.701 92.8 64.4 -64.0 -16.3 19.0 33.4 60.8 228 229 A R T 34 S+ 0 0 120 -23,-0.3 -1,-0.3 1,-0.1 -22,-0.1 0.776 113.9 32.8 -75.7 -24.0 18.1 37.0 59.8 229 230 A Q T <4 S+ 0 0 149 -3,-1.6 -2,-0.2 1,-0.3 -1,-0.1 0.774 133.1 24.7 -98.5 -35.9 14.5 36.2 60.8 230 231 A T S < S- 0 0 16 -4,-2.7 -1,-0.3 8,-0.0 -2,-0.1 -0.887 72.7-148.3-139.5 106.1 15.2 33.9 63.8 231 232 A P >> - 0 0 48 0, 0.0 3,-1.1 0, 0.0 4,-0.9 -0.232 35.0-104.9 -64.1 159.1 18.5 33.9 65.8 232 233 A V G >4 S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 22,-0.0 0.905 121.1 53.3 -55.0 -42.9 19.6 30.6 67.2 233 234 A E G 34 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.762 106.9 53.1 -68.9 -19.2 18.6 31.5 70.7 234 235 A D G X> S+ 0 0 70 -3,-1.1 4,-1.5 1,-0.2 3,-1.2 0.620 84.3 91.2 -87.2 -13.3 15.1 32.4 69.5 235 236 A V H > - 0 0 78 1,-0.1 3,-1.7 23,-0.1 4,-0.8 -0.860 49.6-151.2-101.0 109.6 30.3 32.1 63.6 252 253 A P H >> S+ 0 0 29 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.780 91.7 64.1 -49.1 -38.7 31.3 32.3 67.3 253 254 A K H 3> S+ 0 0 85 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.868 98.9 58.1 -55.3 -36.5 27.9 33.7 68.5 254 255 A H H <> S+ 0 0 20 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.872 99.2 55.1 -62.7 -38.2 26.5 30.3 67.4 255 256 A A H << S+ 0 0 25 -4,-0.8 4,-0.4 -3,-0.5 -1,-0.2 0.911 116.2 38.8 -62.7 -39.1 28.7 28.3 69.6 256 257 A I H >< S+ 0 0 44 -4,-1.4 3,-1.1 1,-0.2 4,-0.4 0.936 117.3 48.0 -75.3 -48.1 27.5 30.3 72.6 257 258 A Q H >X S+ 0 0 39 -4,-3.1 3,-1.1 1,-0.2 4,-1.1 0.729 92.2 76.9 -68.8 -21.9 23.9 30.6 71.6 258 259 A S H 3X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.3 3,-0.4 0.848 85.9 65.7 -56.2 -32.0 23.5 26.9 70.8 259 260 A V H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.856 100.4 48.1 -60.3 -35.5 23.3 26.3 74.5 260 261 A Q H <4 S+ 0 0 57 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.753 112.7 49.6 -76.5 -24.1 20.0 28.2 74.7 261 262 A A H < S+ 0 0 0 -4,-1.1 -19,-2.5 -3,-0.4 -2,-0.2 0.716 89.4 99.6 -87.8 -19.9 18.6 26.3 71.8 262 263 A L E < S-p 242 0D 0 -4,-1.7 -19,-0.2 -21,-0.2 3,-0.1 -0.371 73.8-123.8 -68.1 143.1 19.4 22.8 73.0 263 264 A A E > - 0 0 8 -21,-2.3 3,-2.1 1,-0.2 -1,-0.1 -0.355 50.8 -70.9 -75.8 163.6 16.8 20.7 74.7 264 265 A P E 3 S+ 0 0 43 0, 0.0 30,-0.2 0, 0.0 -1,-0.2 -0.320 124.7 14.6 -56.6 141.0 17.6 19.4 78.2 265 266 A N E 3 S+ 0 0 58 28,-3.3 29,-0.1 1,-0.2 30,-0.1 0.542 100.2 137.6 69.2 11.1 20.3 16.7 78.1 266 267 A G E < - 0 0 0 -3,-2.1 30,-1.4 27,-0.2 2,-0.4 -0.215 42.9-141.2 -81.9 173.0 21.2 17.7 74.6 267 268 A V E -pq 244 296D 0 -24,-1.7 -22,-1.8 28,-0.2 2,-0.4 -0.994 2.4-152.1-137.4 144.2 24.6 18.0 73.0 268 269 A G E -pq 245 297D 1 28,-2.5 30,-2.9 -2,-0.4 2,-0.5 -0.952 8.3-153.5-113.5 131.9 26.1 20.5 70.5 269 270 A A E -pq 246 298D 1 -24,-3.0 -22,-2.8 -2,-0.4 2,-0.5 -0.934 11.3-153.1-104.4 130.2 29.0 19.4 68.3 270 271 A L E +pq 247 299D 39 28,-2.9 30,-1.7 -2,-0.5 -22,-0.1 -0.900 30.3 154.7-105.5 127.4 31.2 22.4 67.2 271 272 A L + 0 0 23 -24,-1.8 -23,-0.2 -2,-0.5 -1,-0.1 0.484 39.3 109.7-122.2 -15.7 33.0 22.1 63.9 272 273 A G - 0 0 24 -25,-0.6 -24,-0.1 -21,-0.1 -25,-0.0 -0.300 53.7-150.2 -69.1 149.2 33.5 25.7 62.9 273 274 A V + 0 0 136 -24,-0.0 2,-0.1 -25,-0.0 -1,-0.1 -0.794 25.2 172.2-122.3 90.6 36.9 27.5 62.9 274 275 A P - 0 0 66 0, 0.0 2,-0.1 0, 0.0 -23,-0.1 -0.471 28.9-119.0 -92.3 165.0 36.5 31.2 63.6 275 276 A S - 0 0 98 -25,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.441 54.3 -63.2 -93.2 173.7 39.1 33.9 64.3 276 277 A D + 0 0 168 -2,-0.1 2,-0.2 -24,-0.0 -1,-0.2 -0.274 66.1 156.3 -57.1 140.6 39.3 35.8 67.5 277 278 A W - 0 0 123 -3,-0.1 2,-0.3 2,-0.1 -1,-0.0 -0.763 21.4-159.4-170.1 118.9 36.3 38.0 68.1 278 279 A A + 0 0 89 -2,-0.2 2,-0.3 -26,-0.0 -2,-0.0 -0.694 19.9 148.6-106.1 159.6 35.0 39.3 71.4 279 280 A F - 0 0 64 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.939 52.1 -70.1-176.7 160.9 31.5 40.6 72.4 280 281 A E + 0 0 191 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.463 52.9 173.8 -67.1 126.1 29.1 40.9 75.2 281 282 A V - 0 0 52 -2,-0.3 2,-1.3 -25,-0.0 3,-0.2 -0.942 39.6-122.4-130.4 148.0 27.7 37.5 76.2 282 283 A D > + 0 0 112 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 -0.760 37.2 173.6 -92.0 88.9 25.5 36.5 79.1 283 284 A A H > S+ 0 0 62 -2,-1.3 4,-3.0 1,-0.2 5,-0.2 0.769 72.5 61.1 -67.7 -26.6 27.9 33.9 80.5 284 285 A G H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 106.6 46.4 -68.4 -35.2 25.7 33.3 83.6 285 286 A A H > S+ 0 0 22 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.885 114.7 46.9 -71.6 -40.8 22.9 32.2 81.4 286 287 A F H X S+ 0 0 52 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.960 116.0 45.3 -60.8 -54.7 25.3 29.9 79.3 287 288 A H H X S+ 0 0 127 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.924 114.6 46.5 -56.8 -52.4 26.8 28.5 82.5 288 289 A R H X S+ 0 0 138 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.893 111.8 49.1 -63.4 -42.1 23.5 27.9 84.3 289 290 A E H X S+ 0 0 32 -4,-1.9 4,-1.5 1,-0.2 6,-0.3 0.905 108.9 55.0 -65.3 -39.8 21.7 26.2 81.4 290 291 A M H <>S+ 0 0 43 -4,-2.1 5,-2.3 -5,-0.2 -1,-0.2 0.916 118.0 35.1 -57.2 -44.7 24.7 23.9 80.8 291 292 A V H ><5S+ 0 0 88 -4,-1.9 3,-1.7 3,-0.2 -2,-0.2 0.973 117.0 46.0 -78.4 -56.5 24.6 22.8 84.4 292 293 A L H 3<5S+ 0 0 119 -4,-2.8 -3,-0.2 1,-0.3 -1,-0.2 0.714 120.5 41.5 -63.4 -22.3 20.9 22.6 85.4 293 294 A H T 3<5S- 0 0 70 -4,-1.5 -28,-3.3 -5,-0.3 -1,-0.3 0.144 105.9-121.4-113.1 22.4 20.0 20.9 82.1 294 295 A N T < 5 + 0 0 107 -3,-1.7 -3,-0.2 -30,-0.2 2,-0.2 0.883 53.6 165.5 44.1 56.1 22.9 18.4 81.9 295 296 A K < - 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0 0 33 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.357 24.3-137.6 -60.6 134.4 19.6 9.8 48.4 320 321 A K H > S+ 0 0 170 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.867 103.9 56.5 -63.7 -35.6 20.9 9.8 44.8 321 322 A W H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 105.2 55.1 -63.6 -33.9 19.1 13.0 43.9 322 323 A F H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.924 105.2 49.0 -62.3 -50.8 20.9 14.6 46.8 323 324 A L H X S+ 0 0 16 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.846 111.9 51.5 -61.0 -33.2 24.4 13.7 45.6 324 325 A E H < S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.908 113.4 42.5 -70.2 -42.4 23.5 15.1 42.2 325 326 A D H < S+ 0 0 80 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.779 111.6 55.8 -75.6 -26.1 22.2 18.4 43.5 326 327 A L H < S+ 0 0 0 -4,-2.4 22,-1.2 -5,-0.2 2,-1.0 0.909 96.4 65.5 -73.6 -40.9 25.1 18.8 45.9 327 328 A V E < +i 348 0B 21 -4,-1.5 22,-0.2 -5,-0.2 -1,-0.2 -0.721 62.4 178.4 -87.2 101.5 27.9 18.5 43.4 328 329 A T E + 0 0 62 20,-1.7 2,-0.3 -2,-1.0 21,-0.2 0.756 62.8 2.6 -80.8 -20.0 27.4 21.6 41.2 329 330 A G E -i 349 0B 14 19,-1.3 21,-1.7 10,-0.1 2,-0.5 -0.895 44.2-165.7-168.9 134.1 30.4 21.0 38.9 330 331 A V E -i 350 0B 47 -2,-0.3 21,-0.2 19,-0.2 -295,-0.0 -0.989 28.9-163.0-116.4 119.1 33.2 18.6 38.2 331 332 A H E -i 351 0B 45 19,-2.6 21,-2.9 -2,-0.5 -2,-0.0 -0.898 17.9-120.2-113.3 136.0 35.7 20.3 35.9 332 333 A P E > -i 352 0B 55 0, 0.0 3,-2.2 0, 0.0 21,-0.2 -0.271 35.6-107.1 -63.6 153.8 38.5 18.8 33.8 333 334 A L G > S+ 0 0 31 19,-1.7 3,-1.9 1,-0.3 4,-0.2 0.839 119.2 67.7 -52.0 -35.0 42.0 19.9 34.6 334 335 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.768 112.3 31.3 -56.9 -25.0 41.9 21.9 31.4 335 336 A E G X S+ 0 0 101 -3,-2.2 3,-1.7 1,-0.1 4,-0.4 -0.078 79.6 136.6-123.9 32.2 39.3 24.2 33.0 336 337 A F G X + 0 0 17 -3,-1.9 3,-2.1 1,-0.3 4,-0.4 0.813 58.7 69.4 -52.3 -39.0 40.4 23.9 36.5 337 338 A E G > S+ 0 0 89 1,-0.3 3,-1.6 -4,-0.2 4,-0.3 0.806 89.5 64.9 -53.2 -30.5 40.0 27.6 37.4 338 339 A A G X S+ 0 0 29 -3,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.805 88.5 68.6 -63.1 -27.1 36.2 27.3 37.1 339 340 A A G < S+ 0 0 1 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.682 100.0 50.2 -66.1 -17.5 36.3 24.9 40.1 340 341 A F G < S+ 0 0 20 -3,-1.6 2,-0.5 -4,-0.4 -1,-0.3 0.445 77.8 108.1-102.4 -2.9 37.3 27.9 42.3 341 342 A D < - 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