==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 18-OCT-00 1G29 . COMPND 2 MOLECULE: MALTOSE TRANSPORT PROTEIN MALK; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS LITORALIS; . AUTHOR K.DIEDERICHS,J.DIEZ,G.GRELLER,C.MUELLER,J.BREED,C.SCHNELL, . 744 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 . 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 . 68 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 0 4 2 0 3 1 2 0 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 4 4 6 2 6 4 3 1 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 3 5 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 1 M 0 0 163 0, 0.0 27,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 101.2 121.2 18.0 5.8 2 2 1 A E -A 27 0A 29 61,-0.2 25,-0.2 25,-0.1 3,-0.2 -0.464 360.0-131.2 -77.8 155.0 122.5 15.5 8.3 3 3 1 G E S+ 0 0 1 23,-2.3 60,-3.2 1,-0.3 2,-0.4 0.901 92.0 6.0 -73.4 -43.8 125.3 16.6 10.6 4 4 1 V E S-AB 26 62A 1 22,-1.7 22,-3.0 58,-0.2 2,-0.4 -0.999 71.6-169.2-141.7 141.2 127.4 13.5 9.8 5 5 1 R E -AB 25 61A 110 56,-2.0 56,-2.7 -2,-0.4 2,-0.4 -0.998 10.2-170.0-139.0 133.3 126.7 10.8 7.3 6 6 1 L E -AB 24 60A 0 18,-2.5 18,-1.9 -2,-0.4 2,-0.5 -0.980 11.4-166.0-115.0 133.2 128.3 7.3 6.6 7 7 1 V E - B 0 59A 31 52,-2.4 52,-1.8 -2,-0.4 16,-0.2 -0.960 68.5 -31.6-126.5 111.8 127.3 5.6 3.4 8 8 1 D E S- 0 0 78 -2,-0.5 2,-0.4 13,-0.2 13,-0.3 0.868 84.8-175.8 48.6 48.1 128.1 1.9 3.0 9 9 1 V E +A 22 0A 0 13,-2.8 13,-2.7 11,-0.1 2,-0.4 -0.610 9.1 179.1 -84.0 129.1 131.2 2.3 5.1 10 10 1 W E - B 0 57A 59 47,-2.6 46,-2.5 -2,-0.4 47,-1.3 -0.940 14.1-171.1-123.5 149.0 133.5 -0.7 5.6 11 11 1 K E +A 19 0A 28 8,-2.5 7,-2.3 -2,-0.4 8,-1.9 -0.941 18.9 171.8-137.7 119.3 136.8 -1.1 7.4 12 12 1 V E -A 17 0A 53 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.862 27.0-164.8-127.0 158.6 138.7 -4.3 6.9 13 13 1 F E > S-A 16 0A 51 3,-2.7 3,-2.2 -2,-0.3 2,-0.1 -0.857 71.2 -61.3-137.2 94.0 142.1 -5.7 7.8 14 14 1 G T 3 S- 0 0 73 -2,-0.3 -1,-0.1 1,-0.3 467,-0.0 -0.412 120.8 -12.5 63.9-128.6 142.7 -8.8 5.6 15 15 1 E T 3 S+ 0 0 191 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.510 121.1 93.8 -82.9 -6.9 140.0 -11.4 6.4 16 16 1 V E < -A 13 0A 93 -3,-2.2 -3,-2.7 2,-0.0 2,-0.6 -0.728 61.4-158.5 -88.8 136.1 138.9 -9.4 9.5 17 17 1 T E +A 12 0A 57 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.955 14.5 177.3-116.5 114.5 136.1 -6.9 9.1 18 18 1 A E S+ 0 0 18 -7,-2.3 2,-0.4 -2,-0.6 -6,-0.2 0.869 79.8 15.9 -80.9 -39.4 136.0 -4.2 11.9 19 19 1 V E S-A 11 0A 0 -8,-1.9 -8,-2.5 25,-0.1 2,-0.6 -0.998 74.3-154.0-137.7 132.1 133.0 -2.4 10.3 20 20 1 R E - 0 0 110 196,-3.2 198,-0.4 -2,-0.4 -10,-0.2 -0.915 60.7 -45.8-117.8 112.6 130.7 -3.8 7.7 21 21 1 E E S- 0 0 100 -2,-0.6 2,-0.5 -13,-0.3 -13,-0.2 0.843 75.8-178.1 38.0 58.2 128.7 -1.7 5.2 22 22 1 M E -A 9 0A 2 -13,-2.7 -13,-2.8 -15,-0.1 2,-0.5 -0.730 15.6-177.6 -92.6 128.8 127.5 0.8 7.7 23 23 1 S E + 0 0 53 -2,-0.5 2,-0.4 -16,-0.2 -16,-0.2 -0.989 13.9 164.5-122.2 127.8 125.2 3.6 6.7 24 24 1 L E -A 6 0A 2 -18,-1.9 -18,-2.5 -2,-0.5 2,-0.6 -0.982 24.0-159.4-147.9 132.7 124.3 6.0 9.4 25 25 1 E E -A 5 0A 77 -2,-0.4 2,-0.6 -20,-0.2 -20,-0.2 -0.958 10.3-161.8-118.8 113.4 122.8 9.4 9.3 26 26 1 V E -A 4 0A 0 -22,-3.0 -23,-2.3 -2,-0.6 -22,-1.7 -0.859 23.0-123.8 -95.2 120.7 123.4 11.6 12.4 27 27 1 K E > -A 2 0A 122 -2,-0.6 3,-2.2 -25,-0.2 -25,-0.1 -0.347 30.4 -97.1 -68.4 143.0 121.0 14.5 12.7 28 28 1 D T 3 S+ 0 0 107 -27,-0.5 -1,-0.1 1,-0.3 163,-0.1 -0.390 109.4 9.5 -59.0 128.8 122.3 18.0 13.0 29 29 1 G T 3 S+ 0 0 25 130,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.400 98.3 127.2 81.7 -0.3 122.4 18.9 16.7 30 30 1 E < - 0 0 15 -3,-2.2 163,-2.6 160,-0.1 2,-0.8 -0.533 61.7-126.5 -93.8 159.0 121.6 15.5 18.1 31 31 1 F E -e 193 0B 2 161,-0.2 177,-2.8 -2,-0.2 178,-1.6 -0.900 34.7-170.0-100.6 100.8 123.5 13.5 20.8 32 32 1 M E -ef 194 209B 0 161,-3.2 163,-2.6 -2,-0.8 2,-0.4 -0.843 7.8-154.6 -99.4 131.6 124.1 10.2 19.1 33 33 1 I E -ef 195 210B 0 176,-2.2 178,-3.4 -2,-0.5 2,-0.7 -0.836 6.8-154.5-102.9 137.4 125.5 7.2 21.0 34 34 1 L E -ef 196 211B 0 161,-2.6 163,-2.4 -2,-0.4 2,-0.4 -0.962 29.4-179.6-107.9 114.1 127.4 4.4 19.4 35 35 1 L E +ef 197 212B 0 176,-2.3 178,-2.6 -2,-0.7 163,-0.2 -0.939 15.4 117.8-119.3 134.5 126.8 1.5 21.8 36 36 1 G - 0 0 0 161,-1.1 178,-0.1 -2,-0.4 3,-0.1 -0.941 56.5 -83.7-179.4 166.8 128.0 -2.1 21.7 37 37 1 P S > S- 0 0 28 0, 0.0 3,-1.5 0, 0.0 5,-0.3 -0.128 71.3 -61.9 -73.6 173.7 130.1 -4.8 23.4 38 38 1 S T 3 S+ 0 0 43 1,-0.3 177,-0.1 2,-0.1 431,-0.1 -0.311 124.7 22.2 -63.4 141.7 133.9 -5.0 23.0 39 39 1 G T 3 S+ 0 0 66 -3,-0.1 -1,-0.3 175,-0.1 177,-0.1 0.504 83.1 122.4 81.6 9.3 135.0 -5.7 19.4 40 40 1 C S < S- 0 0 0 -3,-1.5 176,-1.4 175,-0.2 174,-0.2 0.587 83.1-111.6 -82.9 -6.3 131.8 -4.3 17.9 41 41 1 G S > S+ 0 0 9 174,-0.1 4,-2.4 -4,-0.1 5,-0.2 0.496 78.8 128.4 92.9 5.0 133.6 -1.7 15.8 42 42 1 K H > S+ 0 0 3 -5,-0.3 4,-2.1 1,-0.2 5,-0.2 0.909 75.8 44.5 -62.0 -40.3 132.2 1.3 17.7 43 43 1 T H > S+ 0 0 10 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.914 112.6 51.9 -72.1 -41.3 135.7 2.8 18.2 44 44 1 T H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 108.7 51.8 -60.1 -39.7 136.8 2.1 14.6 45 45 1 T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.956 111.4 45.8 -61.8 -47.8 133.6 3.9 13.4 46 46 1 L H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.921 110.7 54.6 -61.9 -41.9 134.4 6.9 15.6 47 47 1 R H X>S+ 0 0 14 -4,-3.0 4,-2.1 1,-0.2 5,-2.0 0.870 107.8 49.1 -59.8 -36.2 138.0 6.9 14.3 48 48 1 M H <5S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.829 110.4 50.3 -72.9 -29.5 136.8 6.9 10.7 49 49 1 I H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.887 114.3 45.3 -73.1 -35.4 134.5 9.9 11.4 50 50 1 A H <5S- 0 0 3 -4,-2.5 -2,-0.2 -5,-0.2 31,-0.2 0.839 113.2-120.6 -73.5 -32.8 137.4 11.7 13.1 51 51 1 G T <5S+ 0 0 0 -4,-2.1 -3,-0.2 2,-0.3 -4,-0.1 0.569 80.4 121.0 101.7 11.1 139.8 10.8 10.2 52 52 1 L S S-BC 4 65A 3 3,-2.3 3,-2.2 -2,-0.4 -58,-0.2 -0.989 79.4 -39.0-117.5 113.2 130.8 16.0 7.9 63 63 1 G T 3 S- 0 0 8 -60,-3.2 -61,-0.2 -2,-0.6 -58,-0.1 -0.418 125.1 -28.7 65.6-138.6 128.0 18.5 7.1 64 64 1 D T 3 S+ 0 0 130 -3,-0.1 2,-0.5 -63,-0.1 -1,-0.3 0.388 117.1 103.8 -93.6 9.6 127.9 18.9 3.3 65 65 1 K E < -C 62 0A 119 -3,-2.2 -3,-2.3 2,-0.0 2,-0.7 -0.774 67.5-137.9 -96.8 130.7 131.6 18.1 2.9 66 66 1 L E +C 61 0A 33 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.726 28.0 172.8 -80.6 114.8 132.7 14.7 1.6 67 67 1 V E + 0 0 4 -7,-2.9 9,-3.1 -2,-0.7 2,-0.3 0.621 61.0 22.2-102.9 -13.3 135.7 13.9 3.8 68 68 1 A E +CD 60 75A 0 -8,-1.3 -8,-2.1 7,-0.2 -1,-0.3 -0.946 51.6 143.7-154.9 130.3 136.5 10.3 2.8 69 69 1 D E > > - D 0 74A 1 5,-2.5 5,-2.2 -2,-0.3 3,-1.9 -0.591 24.1-166.1-160.6 91.9 135.8 8.2 -0.3 70 70 1 P G > 5S+ 0 0 27 0, 0.0 3,-1.7 0, 0.0 -13,-0.1 0.850 85.9 62.7 -54.7 -33.3 138.7 5.9 -1.0 71 71 1 E G 3 5S+ 0 0 124 1,-0.3 -14,-0.0 -13,-0.2 -15,-0.0 0.716 109.5 42.2 -65.0 -18.9 137.4 5.1 -4.5 72 72 1 K G < 5S- 0 0 144 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.205 116.3-112.0-108.8 10.5 137.8 8.8 -5.4 73 73 1 G T < 5 + 0 0 71 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.788 68.8 148.7 64.1 25.6 141.2 9.2 -3.7 74 74 1 I E < +D 69 0A 47 -5,-2.2 -5,-2.5 2,-0.0 2,-0.3 -0.824 8.0 147.0 -99.5 122.8 139.5 11.5 -1.2 75 75 1 F E -D 68 0A 20 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.801 24.0-166.4-153.6 108.7 140.8 11.6 2.4 76 76 1 V - 0 0 24 -9,-3.1 5,-0.1 -2,-0.3 -2,-0.0 -0.841 26.6-128.9 -93.6 119.9 140.7 14.7 4.5 77 77 1 P > - 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.280 27.8 -98.4 -68.1 161.7 142.9 14.3 7.6 78 78 1 P G > S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 5,-0.4 0.832 119.3 52.2 -44.0 -51.1 141.5 15.0 11.1 79 79 1 K G 3 S+ 0 0 80 346,-2.5 347,-0.2 1,-0.3 4,-0.1 0.821 109.0 53.2 -64.6 -26.6 142.8 18.5 11.6 80 80 1 D G < S+ 0 0 48 -3,-1.2 2,-0.3 345,-0.4 -1,-0.3 0.395 94.2 87.1 -87.0 1.4 141.3 19.5 8.3 81 81 1 R S < S- 0 0 12 -3,-1.8 2,-2.0 -4,-0.3 -31,-0.0 -0.756 89.5-114.8 -99.0 153.4 137.9 18.3 9.1 82 82 1 D S S+ 0 0 78 -2,-0.3 77,-2.1 -20,-0.1 78,-1.0 -0.393 78.3 114.9 -86.6 63.2 135.3 20.5 11.0 83 83 1 I E -g 160 0B 24 -2,-2.0 2,-0.4 -5,-0.4 78,-0.2 -0.875 55.9-147.3-131.5 157.0 135.4 18.2 14.0 84 84 1 A E -g 161 0B 12 76,-2.2 78,-2.9 -2,-0.3 2,-0.5 -0.989 12.4-154.8-127.6 118.1 136.4 18.4 17.7 85 85 1 M E -g 162 0B 28 -2,-0.4 2,-0.6 76,-0.2 78,-0.2 -0.842 10.7-154.1 -92.3 128.8 137.8 15.3 19.3 86 86 1 V E +g 163 0B 29 76,-3.3 78,-0.5 -2,-0.5 2,-0.1 -0.917 36.4 126.4-107.5 119.0 137.3 15.4 23.0 87 87 1 F - 0 0 34 -2,-0.6 3,-0.2 76,-0.1 78,-0.0 -0.389 60.0 -20.6-139.2-140.8 139.7 13.4 25.1 88 88 1 Q S S- 0 0 46 1,-0.2 2,-0.2 -2,-0.1 427,-0.0 0.916 103.6 -51.7 -37.3 -92.2 142.3 13.5 28.0 89 89 1 S - 0 0 42 60,-0.1 -1,-0.2 59,-0.0 3,-0.1 -0.760 68.3-143.3-161.4 110.1 143.4 17.1 28.5 90 90 1 Y - 0 0 47 -2,-0.2 2,-2.0 56,-0.2 59,-0.1 0.049 39.9 -46.4 -80.3-175.1 144.6 19.0 25.5 91 91 1 A - 0 0 51 58,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.241 57.1-175.9 -50.4 71.5 147.3 21.6 24.5 92 92 1 L - 0 0 30 -2,-2.0 -1,-0.1 -3,-0.1 6,-0.0 -0.624 26.6-127.1 -76.1 120.3 146.9 24.1 27.3 93 93 1 Y > - 0 0 51 -2,-0.5 3,-0.8 4,-0.1 8,-0.1 -0.556 22.1-140.2 -70.8 121.0 149.2 27.1 26.5 94 94 1 P T 3 S+ 0 0 31 0, 0.0 317,-0.2 0, 0.0 3,-0.1 -0.439 86.0 31.4 -78.4 157.8 151.4 27.8 29.5 95 95 1 H T 3 S+ 0 0 123 1,-0.2 2,-0.4 -2,-0.1 -2,-0.1 0.728 103.3 106.0 67.1 17.2 152.1 31.5 30.4 96 96 1 M S < S- 0 0 32 -3,-0.8 -1,-0.2 -4,-0.0 38,-0.0 -0.997 71.9-124.7-130.5 134.1 148.7 32.1 29.0 97 97 1 T > - 0 0 27 -2,-0.4 4,-2.7 39,-0.2 39,-0.2 -0.236 29.5-106.0 -70.1 168.3 145.6 32.9 31.1 98 98 1 V H > S+ 0 0 0 37,-1.8 4,-2.5 34,-0.6 5,-0.3 0.930 122.3 53.4 -59.1 -43.4 142.4 30.8 30.9 99 99 1 Y H > S+ 0 0 39 34,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.909 111.7 43.2 -60.2 -46.1 140.9 33.7 29.0 100 100 1 D H > S+ 0 0 62 33,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.871 110.1 56.3 -70.7 -36.0 143.6 33.9 26.4 101 101 1 N H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.928 112.8 41.6 -59.9 -44.9 143.8 30.1 26.0 102 102 1 I H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.876 117.2 48.8 -70.3 -35.0 140.1 30.0 25.1 103 103 1 A H >X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 3,-0.8 0.738 86.6 90.5 -75.5 -24.2 140.5 33.1 23.0 104 104 1 F H 3X S+ 0 0 37 -4,-2.1 4,-1.3 1,-0.3 3,-0.3 0.842 85.0 49.1 -43.5 -53.1 143.5 31.9 21.0 105 105 1 P H 3> S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.894 113.5 47.5 -57.6 -39.4 141.7 30.2 18.1 106 106 1 L H <4>S+ 0 0 0 -3,-0.8 5,-2.3 -4,-0.4 -2,-0.2 0.796 104.0 62.4 -70.9 -26.3 139.5 33.3 17.7 107 107 1 K H <5S+ 0 0 89 -4,-1.8 3,-0.5 -3,-0.3 -1,-0.2 0.800 106.1 46.5 -66.9 -29.8 142.7 35.5 17.8 108 108 1 L H <5S+ 0 0 73 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.926 106.9 54.3 -76.6 -47.3 143.9 33.6 14.7 109 109 1 R T <5S- 0 0 136 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.281 112.6-124.3 -70.4 12.3 140.6 34.0 12.8 110 110 1 K T 5 + 0 0 140 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.827 43.9 177.6 44.2 46.8 141.0 37.7 13.5 111 111 1 V < - 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0 0 26 -5,-2.5 -1,-0.2 1,-0.1 5,-0.1 -0.531 46.1 -89.4 -74.1 143.5 154.0 -11.9 13.6 485 112 2 P > - 0 0 83 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.234 32.3-119.4 -57.5 145.6 153.7 -15.3 15.2 486 113 2 R H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.846 112.8 49.5 -50.4 -45.3 151.5 -15.6 18.2 487 114 2 Q H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 112.5 48.1 -64.8 -40.0 154.3 -16.8 20.5 488 115 2 E H > S+ 0 0 87 -3,-0.2 4,-2.8 2,-0.2 5,-0.3 0.935 110.6 50.7 -66.3 -46.5 156.5 -13.9 19.4 489 116 2 I H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.948 109.4 52.4 -54.2 -49.6 153.8 -11.3 19.9 490 117 2 D H X S+ 0 0 31 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.848 112.9 43.1 -56.4 -39.9 153.2 -12.7 23.4 491 118 2 Q H X S+ 0 0 97 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.907 115.0 47.8 -77.6 -39.0 156.8 -12.4 24.4 492 119 2 R H X S+ 0 0 68 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.917 114.0 47.9 -67.3 -40.0 157.4 -9.0 22.8 493 120 2 V H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.3 -2,-0.2 0.943 114.1 46.0 -65.5 -46.2 154.2 -7.5 24.4 494 121 2 R H X S+ 0 0 121 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.853 111.7 53.2 -66.2 -31.2 155.1 -8.9 27.8 495 122 2 E H X S+ 0 0 142 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.971 111.9 42.3 -68.5 -52.4 158.6 -7.7 27.5 496 123 2 V H X S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.883 113.5 54.7 -63.4 -34.6 157.7 -4.1 26.7 497 124 2 A H <>S+ 0 0 0 -4,-2.4 5,-3.4 -5,-0.2 6,-0.7 0.918 109.1 46.4 -64.0 -43.6 155.0 -4.2 29.4 498 125 2 E H ><5S+ 0 0 127 -4,-2.1 3,-1.8 4,-0.2 -2,-0.2 0.949 108.9 55.6 -63.6 -46.0 157.4 -5.2 32.1 499 126 2 L H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 115.1 40.1 -52.8 -38.1 159.9 -2.6 31.0 500 127 2 L T 3<5S- 0 0 26 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.323 115.2-110.3 -97.3 7.5 157.2 0.0 31.4 501 128 2 G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 -4,-0.3 3,-0.2 0.771 84.2 120.6 70.3 29.3 155.6 -1.3 34.6 502 129 2 L > < + 0 0 0 -5,-3.4 3,-1.9 -6,-0.2 4,-0.5 0.427 32.2 104.7-104.9 -1.3 152.4 -2.3 32.8 503 130 2 T G > S+ 0 0 44 -6,-0.7 3,-1.4 1,-0.3 4,-0.2 0.877 79.6 49.5 -49.1 -48.5 152.4 -6.0 33.5 504 131 2 E G 3 S+ 0 0 176 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.629 110.1 55.7 -70.4 -8.7 149.6 -6.0 36.1 505 132 2 L G X S+ 0 0 28 -3,-1.9 3,-2.3 1,-0.2 -34,-0.5 0.442 72.0 105.9-102.5 1.6 147.5 -3.9 33.6 506 133 2 L T < S+ 0 0 15 -3,-1.4 -34,-2.6 -4,-0.5 -33,-0.3 0.771 84.1 42.9 -51.8 -36.4 147.6 -6.3 30.7 507 134 2 N T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.315 97.3 93.5 -95.1 7.0 144.1 -7.5 31.0 508 135 2 R S < S- 0 0 106 -3,-2.3 -37,-2.7 2,-0.0 -36,-0.3 -0.585 74.0-125.4 -92.9 161.3 142.6 -4.1 31.8 509 136 2 K > - 0 0 53 -39,-0.3 3,-2.6 -2,-0.2 4,-0.5 -0.857 22.5-118.0-105.7 142.9 141.1 -1.8 29.0 510 137 2 P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -42,-0.1 0.773 109.3 71.0 -51.2 -28.1 142.4 1.7 28.6 511 138 2 R G 3 S+ 0 0 24 -44,-2.0 -43,-0.1 1,-0.3 7,-0.0 0.721 100.9 48.3 -62.1 -19.6 139.0 3.2 29.4 512 139 2 E G < S+ 0 0 87 -3,-2.6 -1,-0.3 -45,-0.2 2,-0.1 0.560 98.8 90.8 -95.8 -10.4 139.6 2.0 33.0 513 140 2 L S < S- 0 0 8 -3,-1.4 2,-0.1 -4,-0.5 -344,-0.0 -0.408 78.0-104.6 -90.6 165.3 143.1 3.4 33.4 514 141 2 S > - 0 0 54 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.319 39.1-104.6 -75.7 164.5 144.6 6.7 34.6 515 142 2 G H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 121.4 49.7 -57.8 -43.4 145.9 9.2 32.2 516 143 2 G H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 110.1 50.4 -64.1 -41.0 149.6 8.4 33.0 517 144 2 Q H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 110.0 51.0 -64.0 -41.9 148.9 4.6 32.6 518 145 2 R H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 107.5 52.6 -62.2 -42.1 147.3 5.3 29.2 519 146 2 Q H X S+ 0 0 82 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.929 110.0 49.8 -61.2 -40.5 150.3 7.3 28.0 520 147 2 R H X S+ 0 0 95 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.896 107.3 52.5 -64.9 -39.4 152.6 4.4 29.0 521 148 2 V H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.923 108.9 50.8 -61.9 -41.4 150.5 1.9 27.2 522 149 2 A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.870 109.2 52.2 -63.3 -35.9 150.7 4.1 24.0 523 150 2 L H X S+ 0 0 31 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.938 109.0 49.3 -65.1 -45.9 154.5 4.2 24.5 524 151 2 G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.935 111.6 48.0 -60.3 -44.3 154.6 0.5 24.7 525 152 2 R H X S+ 0 0 31 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.888 112.8 51.3 -63.1 -35.8 152.6 0.1 21.5 526 153 2 A H < S+ 0 0 8 -4,-2.1 3,-0.4 -5,-0.2 4,-0.3 0.933 118.3 34.6 -69.1 -41.9 154.9 2.7 19.9 527 154 2 I H < S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.596 96.7 81.8 -92.3 -5.7 158.1 0.9 20.8 528 155 2 V H < S+ 0 0 11 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.836 108.2 24.8 -67.0 -31.7 157.0 -2.7 20.6 529 156 2 R S < S- 0 0 70 -4,-0.6 -2,-0.1 -3,-0.4 -3,-0.1 0.750 99.7-119.3 -88.9-100.9 157.5 -2.6 16.8 530 157 2 K - 0 0 105 -4,-0.3 -3,-0.1 3,-0.1 2,-0.1 -0.006 27.2-164.6 149.4 90.8 160.0 0.0 15.7 531 158 2 P - 0 0 8 0, 0.0 -75,-0.2 0, 0.0 3,-0.1 -0.315 33.7-110.9 -82.4 179.8 158.6 2.7 13.3 532 159 2 Q S S+ 0 0 72 -77,-2.0 33,-0.7 1,-0.2 2,-0.3 0.745 99.8 23.4 -81.9 -25.1 161.0 4.9 11.3 533 160 2 V E -ab 456 565G 0 -78,-1.1 -76,-2.5 31,-0.1 2,-0.4 -1.000 62.4-151.2-145.1 141.4 160.0 8.0 13.5 534 161 2 F E -ab 457 566G 10 31,-2.6 33,-2.5 -2,-0.3 2,-0.4 -0.914 18.1-163.0-105.2 137.6 158.6 8.7 16.9 535 162 2 L E +ab 458 567G 4 -78,-3.1 -76,-2.3 -2,-0.4 2,-0.4 -0.968 10.9 175.5-122.5 136.1 156.5 11.9 17.3 536 163 2 M E - b 0 568G 22 31,-2.3 33,-2.5 -2,-0.4 2,-0.5 -0.999 17.3-156.9-139.3 147.2 155.7 13.5 20.6 537 164 2 D E S- b 0 569G 49 -2,-0.4 33,-0.1 -78,-0.2 31,-0.1 -0.893 72.3 -45.6-128.6 103.4 153.9 16.6 21.5 538 165 2 E S > S+ 0 0 29 31,-2.5 3,-1.6 -2,-0.5 4,-0.2 0.858 73.0 171.8 45.8 46.8 154.7 18.1 24.9 539 166 2 P T 3 S+ 0 0 24 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.670 70.7 47.3 -60.5 -17.7 154.3 14.7 26.6 540 167 2 L T > S+ 0 0 6 1,-0.1 3,-1.1 2,-0.0 -2,-0.1 0.316 75.6 106.0-107.6 8.2 155.6 15.8 30.1 541 168 2 S T < S+ 0 0 68 -3,-1.6 -1,-0.1 1,-0.3 -3,-0.1 0.788 78.1 55.6 -59.2 -28.7 153.4 19.0 30.4 542 169 2 N T 3 S+ 0 0 85 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 -0.151 91.8 104.8 -96.9 39.3 151.2 17.3 33.0 543 170 2 L S < S- 0 0 51 -3,-1.1 2,-0.1 -2,-0.0 -3,-0.0 -0.903 74.1-107.4-126.6 150.7 154.0 16.3 35.4 544 171 2 D > - 0 0 133 -2,-0.3 4,-2.8 1,-0.1 3,-0.2 -0.429 43.8-108.6 -67.5 147.0 155.4 17.4 38.8 545 172 2 A H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.805 115.7 46.8 -46.1 -45.0 158.8 19.2 38.4 546 173 2 K H > S+ 0 0 174 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 113.9 46.7 -68.3 -45.6 160.9 16.4 39.9 547 174 2 L H > S+ 0 0 83 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.880 110.9 54.4 -64.5 -35.8 159.2 13.7 37.9 548 175 2 R H X S+ 0 0 31 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.930 106.7 49.7 -64.4 -43.4 159.6 15.8 34.8 549 176 2 V H X S+ 0 0 94 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.931 114.3 46.2 -61.1 -44.1 163.3 16.3 35.2 550 177 2 R H X S+ 0 0 152 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.917 111.9 50.4 -64.3 -45.8 163.7 12.5 35.7 551 178 2 M H X S+ 0 0 55 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.840 104.0 57.9 -64.4 -35.8 161.5 11.7 32.7 552 179 2 R H X S+ 0 0 29 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.949 112.6 42.2 -59.2 -43.7 163.4 14.1 30.4 553 180 2 A H X S+ 0 0 60 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.945 116.1 47.7 -67.8 -45.5 166.5 12.0 31.2 554 181 2 E H X S+ 0 0 68 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.903 111.2 50.4 -62.2 -44.5 164.7 8.6 31.0 555 182 2 L H X S+ 0 0 24 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.901 112.5 46.5 -62.3 -40.3 163.0 9.4 27.6 556 183 2 K H X S+ 0 0 35 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.873 110.7 52.3 -71.2 -35.2 166.3 10.5 26.0 557 184 2 K H X S+ 0 0 115 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.954 112.3 45.9 -64.5 -47.7 168.1 7.5 27.4 558 185 2 L H X S+ 0 0 32 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.913 110.9 52.2 -61.4 -43.3 165.5 5.2 25.9 559 186 2 Q H X>S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 5,-0.6 0.951 111.3 47.8 -58.6 -46.5 165.5 7.1 22.5 560 187 2 R H <5S+ 0 0 187 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.907 111.4 50.6 -61.5 -40.7 169.3 6.7 22.4 561 188 2 Q H <5S+ 0 0 130 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.8 40.2 -61.4 -46.0 168.9 3.0 23.2 562 189 2 L H <5S- 0 0 39 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.823 94.0-149.0 -71.7 -32.2 166.3 2.5 20.5 563 190 2 G T <5 + 0 0 37 -4,-3.0 2,-0.4 -5,-0.3 -3,-0.2 0.666 42.2 148.7 70.8 19.5 168.2 4.7 18.0 564 191 2 V < - 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