==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE BINDING PROTEIN 23-JUL-09 3IEU . COMPND 2 MOLECULE: GTP-BINDING PROTEIN ERA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR C.TU,X.JI . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 58 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 0 0 2 2 4 2 4 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 4 0 0 2 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 0 0 2 0 2 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 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 4 A D 0 0 176 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.0 8.4 6.8 63.8 2 5 A K - 0 0 63 1,-0.1 2,-0.2 374,-0.1 373,-0.1 -0.180 360.0 -81.7-113.2-149.5 7.1 10.3 62.8 3 6 A S - 0 0 0 -2,-0.1 170,-2.0 2,-0.0 2,-0.4 -0.663 17.6-145.3-126.1 168.9 7.9 12.8 60.2 4 7 A Y E +aB 53 172A 69 48,-2.8 50,-2.2 168,-0.3 2,-0.3 -0.997 19.9 166.1-136.9 138.6 10.2 15.6 59.1 5 8 A C E +a 54 0A 6 166,-2.1 2,-0.3 -2,-0.4 50,-0.2 -0.957 12.7 137.8-155.6 131.1 9.5 18.7 57.1 6 9 A G E -a 55 0A 4 48,-1.6 50,-3.3 -2,-0.3 2,-0.5 -0.980 46.0 -85.8-165.4 175.8 11.5 21.9 56.6 7 10 A F E -ac 56 86A 3 78,-0.8 80,-3.1 -2,-0.3 81,-0.6 -0.788 30.1-174.0-101.2 130.1 12.7 24.7 54.4 8 11 A I E -ac 57 88A 0 48,-2.6 50,-2.5 -2,-0.5 2,-0.2 -0.983 14.2-147.4-121.3 121.6 15.9 24.4 52.4 9 12 A A E -ac 58 89A 0 79,-2.4 81,-2.6 -2,-0.5 2,-0.4 -0.607 5.8-161.3 -85.9 148.6 17.2 27.3 50.5 10 13 A I E + c 0 90A 6 48,-1.9 2,-0.3 -2,-0.2 81,-0.2 -0.977 25.6 167.8-124.3 118.4 19.0 27.1 47.2 11 14 A V E + c 0 91A 9 79,-2.8 81,-2.6 -2,-0.4 2,-0.2 -0.805 12.6 110.6-131.9 167.0 21.0 30.2 46.3 12 15 A G - 0 0 8 -2,-0.3 3,-0.1 79,-0.2 81,-0.1 -0.419 64.1 -66.3 137.7 144.8 23.6 31.6 44.0 13 16 A R S > S- 0 0 29 79,-0.2 3,-1.3 -2,-0.2 5,-0.2 -0.028 73.5 -68.6 -53.6 158.6 24.0 34.0 41.1 14 17 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 87,-0.0 -0.190 114.2 19.3 -55.0 133.8 22.2 33.3 37.8 15 18 A N T 3 S+ 0 0 124 -3,-0.1 -2,-0.1 78,-0.0 78,-0.1 0.350 80.6 113.7 93.9 -0.3 23.5 30.4 35.7 16 19 A V S < S- 0 0 0 -3,-1.3 77,-0.1 76,-0.1 79,-0.1 0.663 95.7 -97.1 -75.8 -15.6 25.5 28.4 38.3 17 20 A G S > S+ 0 0 10 -5,-0.1 4,-2.2 75,-0.1 5,-0.2 0.666 73.3 144.6 108.3 22.3 22.9 25.6 37.9 18 21 A K H > S+ 0 0 51 -5,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 78.7 43.2 -51.5 -53.8 20.4 26.1 40.7 19 22 A S H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 112.1 55.1 -67.0 -32.0 17.4 24.9 38.8 20 23 A T H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.894 112.2 42.3 -67.1 -39.1 19.4 22.0 37.3 21 24 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 109.5 57.6 -75.1 -42.2 20.3 20.8 40.8 22 25 A L H X S+ 0 0 13 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.920 107.6 49.5 -49.2 -46.3 16.8 21.4 42.1 23 26 A N H X S+ 0 0 28 -4,-2.1 4,-1.2 2,-0.2 5,-0.4 0.861 108.2 51.1 -67.0 -36.1 15.6 19.1 39.4 24 27 A K H < S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.9 50.7 -68.1 -34.6 18.1 16.3 40.2 25 28 A L H < S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 104.7 55.2 -68.8 -36.3 17.0 16.6 43.9 26 29 A L H < S- 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.768 94.1-152.4 -71.1 -22.5 13.3 16.3 43.0 27 30 A G < + 0 0 58 -4,-1.2 2,-0.2 1,-0.2 -3,-0.1 0.575 33.6 156.1 67.1 13.5 14.2 13.0 41.2 28 31 A Q - 0 0 101 -5,-0.4 -1,-0.2 1,-0.1 182,-0.2 -0.488 46.1-135.4 -67.6 139.0 11.3 13.1 38.6 29 32 A K S S+ 0 0 76 -2,-0.2 182,-1.3 1,-0.1 2,-0.4 0.913 98.9 41.3 -64.5 -41.2 12.2 11.0 35.5 30 33 A I E S-g 211 0B 1 180,-0.1 2,-0.2 179,-0.1 182,-0.2 -0.924 83.3-168.9-106.6 134.5 10.8 13.9 33.4 31 34 A S E -g 212 0B 15 180,-2.1 182,-3.0 -2,-0.4 2,-0.4 -0.717 14.0-133.7-121.0 165.3 11.7 17.4 34.6 32 35 A I E -g 213 0B 27 -2,-0.2 2,-0.3 180,-0.2 182,-0.2 -0.982 18.9-176.7-126.5 130.7 10.6 20.9 33.7 33 36 A T E -g 214 0B 42 180,-2.4 182,-0.6 -2,-0.4 2,-0.3 -0.820 9.9-161.2-118.5 168.2 12.7 23.9 33.1 34 37 A S > - 0 0 53 -2,-0.3 3,-1.3 180,-0.2 182,-0.1 -0.807 10.7-162.8-151.6 99.9 11.9 27.6 32.3 35 38 A R T 3 S+ 0 0 197 -2,-0.3 181,-0.0 1,-0.3 179,-0.0 0.405 90.6 67.8 -68.4 7.0 14.4 29.9 30.7 36 39 A K T 3 S- 0 0 92 2,-0.0 -1,-0.3 0, 0.0 180,-0.0 0.797 76.1-175.5 -92.9 -35.4 12.2 32.8 32.0 37 40 A A < - 0 0 82 -3,-1.3 2,-0.3 1,-0.1 -2,-0.1 0.866 9.3-174.2 37.6 97.2 12.9 32.2 35.7 38 41 A Q - 0 0 123 -4,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.825 24.5-108.3-120.3 158.8 10.6 34.7 37.6 39 42 A T - 0 0 90 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.727 30.8-162.5 -92.4 131.5 10.3 35.7 41.3 40 43 A T - 0 0 36 -2,-0.4 30,-0.0 1,-0.1 -1,-0.0 -0.531 29.0-117.4-104.7 170.2 7.2 34.7 43.3 41 44 A R S S+ 0 0 179 1,-0.2 29,-0.3 -2,-0.2 30,-0.2 0.695 114.6 40.8 -82.9 -17.4 5.8 36.0 46.6 42 45 A H S S- 0 0 27 28,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.506 92.4-144.2-110.5 -11.7 6.2 32.7 48.4 43 46 A R + 0 0 45 1,-0.2 16,-1.2 15,-0.1 2,-0.4 0.560 44.9 146.7 65.4 9.0 9.7 31.8 46.9 44 47 A I E +D 58 0A 6 14,-0.2 14,-0.3 1,-0.1 -1,-0.2 -0.679 19.0 173.3 -79.1 130.6 9.0 28.0 46.8 45 48 A V E - 0 0 58 12,-3.0 2,-0.3 1,-0.4 13,-0.2 0.527 62.6 -19.1-113.2 -15.9 10.7 26.4 43.8 46 49 A G E -D 57 0A 6 11,-1.3 11,-2.3 137,-0.0 -1,-0.4 -0.901 51.4-134.8 176.1 157.2 10.0 22.8 44.5 47 50 A I E -D 56 0A 33 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.970 10.5-161.2-131.7 120.7 8.9 20.2 47.1 48 51 A H E +D 55 0A 34 7,-2.6 7,-3.3 -2,-0.4 2,-0.5 -0.868 13.1 177.2-106.0 116.2 10.5 16.8 47.6 49 52 A T E +D 54 0A 25 -2,-0.7 2,-0.4 5,-0.3 5,-0.2 -0.949 8.9 158.6-120.6 114.5 8.4 14.3 49.5 50 53 A E E > -D 53 0A 105 3,-3.0 3,-2.2 -2,-0.5 2,-0.5 -0.925 65.5 -51.6-140.9 109.9 9.7 10.8 50.1 51 54 A G T 3 S- 0 0 45 -2,-0.4 323,-0.3 1,-0.3 324,-0.1 -0.447 125.8 -11.8 66.7-113.6 8.3 8.6 52.9 52 55 A A T 3 S+ 0 0 15 -2,-0.5 -48,-2.8 321,-0.1 2,-0.5 0.374 119.6 91.8-101.2 6.3 8.5 10.7 56.0 53 56 A Y E < +aD 4 50A 79 -3,-2.2 -3,-3.0 -50,-0.2 2,-0.5 -0.883 44.9 175.1-112.0 121.1 10.7 13.4 54.6 54 57 A Q E -aD 5 49A 0 -50,-2.2 -48,-1.6 -2,-0.5 2,-0.5 -0.960 9.0-169.7-124.3 113.9 9.3 16.5 53.0 55 58 A A E -aD 6 48A 3 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.8 -0.902 8.3-155.8-107.3 126.0 11.8 19.1 51.9 56 59 A I E -aD 7 47A 0 -50,-3.3 -48,-2.6 -2,-0.5 2,-0.5 -0.853 12.2-154.1-105.1 104.3 10.5 22.4 50.9 57 60 A Y E +aD 8 46A 5 -11,-2.3 -12,-3.0 -2,-0.8 -11,-1.3 -0.650 17.8 174.2 -84.3 123.6 13.0 24.1 48.5 58 61 A V E -aD 9 44A 0 -50,-2.5 -48,-1.9 -2,-0.5 -14,-0.2 -0.638 33.0-135.6-115.8 179.4 13.0 27.9 48.3 59 62 A D S S+ 0 0 47 -16,-1.2 -47,-0.2 -50,-0.2 -15,-0.1 0.198 81.3 76.9-123.9 11.5 15.2 30.5 46.6 60 63 A T S S- 0 0 16 -17,-0.2 -2,-0.1 -49,-0.1 3,-0.1 -0.956 76.7-134.0-117.7 143.7 15.7 33.0 49.4 61 64 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -52,-0.2 0.753 91.1 24.1 -67.2 -28.2 18.2 32.3 52.3 62 65 A G S S- 0 0 23 23,-0.1 2,-0.5 50,-0.1 23,-0.1 -1.000 75.8-128.8-144.5 144.5 15.6 33.4 54.8 63 66 A L - 0 0 7 -2,-0.3 2,-0.3 -3,-0.1 23,-0.0 -0.796 22.7-160.7 -97.1 126.1 11.8 33.7 54.9 64 67 A H >> - 0 0 136 -2,-0.5 3,-2.8 1,-0.1 4,-1.6 -0.709 35.0 -99.6-107.5 156.7 10.2 36.9 56.0 65 68 A M H 3> S+ 0 0 88 1,-0.3 4,-2.1 -2,-0.3 5,-0.2 0.792 120.5 59.0 -46.2 -42.7 6.7 37.5 57.2 66 69 A E H 3> S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.866 111.4 44.5 -51.5 -35.8 5.3 38.7 53.9 67 70 A E H <> S+ 0 0 27 -3,-2.8 4,-2.8 2,-0.2 5,-0.2 0.894 105.7 55.5 -84.7 -42.0 6.5 35.4 52.5 68 71 A K H X S+ 0 0 14 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.889 110.1 51.6 -54.0 -34.9 5.2 33.0 55.2 69 72 A R H X S+ 0 0 110 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.933 108.6 48.9 -69.7 -40.5 1.9 34.7 54.4 70 73 A A H X S+ 0 0 6 -4,-1.5 4,-2.3 -29,-0.3 -28,-0.2 0.878 110.2 52.2 -64.4 -36.0 2.2 34.0 50.7 71 74 A I H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.874 107.8 51.5 -66.3 -39.6 3.1 30.4 51.4 72 75 A N H X>S+ 0 0 1 -4,-2.0 5,-3.2 -5,-0.2 4,-0.7 0.892 109.1 50.8 -64.6 -38.9 -0.0 30.0 53.6 73 76 A R H ><5S+ 0 0 144 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.936 105.3 56.3 -58.9 -51.6 -2.2 31.5 50.7 74 77 A L H 3<5S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 114.1 39.5 -48.2 -41.8 -0.6 29.0 48.3 75 78 A M H 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.551 111.5-123.8 -84.1 -10.9 -1.8 26.2 50.7 76 79 A N T <<5 + 0 0 86 -3,-1.3 397,-3.4 -4,-0.7 398,-0.4 0.866 62.3 144.5 65.2 39.7 -5.1 28.0 51.3 77 80 A K < - 0 0 9 -5,-3.2 -1,-0.2 395,-0.3 -2,-0.1 -0.765 64.1 -78.6-107.5 154.1 -4.4 27.9 55.1 78 81 A A > - 0 0 1 393,-0.3 3,-2.2 -2,-0.3 391,-0.2 -0.218 47.2-121.9 -44.7 131.7 -5.3 30.6 57.7 79 82 A A T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -3,-0.1 -7,-0.1 0.709 108.5 56.5 -61.8 -17.3 -2.6 33.2 57.3 80 83 A S T 3 S+ 0 0 49 265,-0.5 -1,-0.3 -8,-0.1 -2,-0.1 0.374 74.3 123.6 -97.2 6.7 -1.5 32.9 60.9 81 84 A S S < S- 0 0 5 -3,-2.2 387,-0.2 1,-0.1 -9,-0.1 -0.422 73.1 -99.0 -62.1 140.7 -0.8 29.1 60.7 82 85 A S - 0 0 24 385,-0.4 2,-0.3 264,-0.1 387,-0.1 -0.243 38.5-173.0 -71.7 151.8 2.9 28.6 61.7 83 86 A I - 0 0 3 -3,-0.1 -15,-0.1 385,-0.1 -14,-0.0 -0.968 17.4-133.7-142.3 129.5 5.7 28.2 59.2 84 87 A G - 0 0 39 -2,-0.3 2,-0.3 1,-0.1 -78,-0.1 0.348 25.0-101.8 -64.8-159.5 9.2 27.3 60.1 85 88 A D - 0 0 78 -78,-0.1 -78,-0.8 -23,-0.1 -1,-0.1 -0.842 45.3 -74.5-123.9 162.1 12.4 28.9 58.9 86 89 A V E -c 7 0A 13 -2,-0.3 -78,-0.2 1,-0.1 3,-0.1 -0.390 43.9-170.7 -52.9 127.8 15.1 28.0 56.4 87 90 A E E + 0 0 76 -80,-3.1 2,-0.3 1,-0.3 -79,-0.2 0.519 65.9 13.4-104.9 -9.9 17.1 25.2 58.1 88 91 A L E -c 8 0A 0 -81,-0.6 -79,-2.4 26,-0.2 2,-0.5 -0.931 65.0-144.0-169.6 134.8 19.9 24.8 55.6 89 92 A V E -ce 9 116A 4 26,-2.5 28,-3.0 -2,-0.3 2,-0.9 -0.951 5.1-155.4-113.3 122.5 21.3 27.0 52.8 90 93 A I E -ce 10 117A 1 -81,-2.6 -79,-2.8 -2,-0.5 2,-0.5 -0.849 14.0-162.9 -93.7 104.3 22.7 25.4 49.6 91 94 A F E -ce 11 118A 1 26,-3.1 28,-3.3 -2,-0.9 2,-0.4 -0.762 9.2-158.3 -87.8 123.7 25.0 28.0 48.2 92 95 A V E + e 0 119A 0 -81,-2.6 2,-0.3 -2,-0.5 -79,-0.2 -0.886 18.0 165.4-115.4 135.3 25.8 27.2 44.6 93 96 A V E - e 0 120A 0 26,-2.1 28,-2.9 -2,-0.4 2,-0.6 -0.884 33.6-109.9-135.8 164.5 28.8 28.4 42.5 94 97 A E E > - e 0 121A 35 3,-0.4 3,-2.6 -2,-0.3 28,-0.2 -0.896 53.5 -73.4-110.7 126.9 30.4 27.3 39.2 95 98 A G T 3 S- 0 0 6 26,-3.4 28,-0.1 -2,-0.6 27,-0.1 -0.026 106.6 -26.6 37.6-118.8 33.7 25.6 38.9 96 99 A T T 3 S+ 0 0 45 24,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.182 102.6 120.3-112.3 13.3 36.4 28.2 39.6 97 100 A R < + 0 0 146 -3,-2.6 -3,-0.4 5,-0.0 2,-0.3 -0.612 34.0 173.7 -77.5 137.5 34.5 31.3 38.6 98 101 A W + 0 0 55 -2,-0.3 -5,-0.0 -5,-0.1 -2,-0.0 -0.866 5.5 163.0-148.8 115.5 34.1 33.8 41.4 99 102 A T > - 0 0 32 -2,-0.3 4,-2.0 1,-0.0 5,-0.1 -0.665 54.5 -93.9-127.3 174.3 32.6 37.3 40.9 100 103 A P H > S+ 0 0 101 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.768 124.5 58.4 -63.4 -25.3 31.1 40.2 42.9 101 104 A D H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.938 103.6 50.1 -66.8 -49.1 27.6 38.6 42.3 102 105 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.948 113.7 47.4 -50.2 -48.0 28.8 35.4 43.9 103 106 A E H X S+ 0 0 84 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.886 104.2 58.3 -64.3 -42.2 30.0 37.6 46.8 104 107 A M H < S+ 0 0 106 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.882 109.8 46.7 -54.5 -38.5 26.7 39.6 47.1 105 108 A V H >< S+ 0 0 34 -4,-1.9 3,-1.2 -3,-0.3 -2,-0.2 0.925 110.6 51.0 -67.7 -46.5 25.0 36.3 47.6 106 109 A L H >X S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.3 4,-1.2 0.911 100.8 64.8 -56.0 -44.7 27.6 35.1 50.2 107 110 A N H 3X S+ 0 0 68 -4,-3.0 4,-0.6 1,-0.3 -1,-0.3 0.730 100.2 51.4 -51.6 -27.5 27.1 38.4 52.1 108 111 A K H <4 S+ 0 0 121 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.369 101.2 61.5 -96.2 4.8 23.6 37.5 52.9 109 112 A L H X4 S+ 0 0 7 -3,-2.8 3,-1.1 -4,-0.2 -2,-0.2 0.757 101.9 48.6 -98.0 -35.5 24.4 34.0 54.3 110 113 A R H 3< S+ 0 0 122 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.827 100.7 69.8 -68.2 -33.1 26.5 35.2 57.2 111 114 A E T 3< S+ 0 0 160 -4,-0.6 -1,-0.2 -5,-0.3 2,-0.2 0.523 100.4 66.9 -56.0 -6.9 23.6 37.6 57.7 112 115 A G S < S- 0 0 47 -3,-1.1 -3,-0.1 2,-0.2 -50,-0.1 -0.602 75.3-134.2-120.8 176.2 21.8 34.4 58.8 113 116 A K S S+ 0 0 199 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.735 73.5 99.4 -97.7 -28.0 21.6 31.7 61.4 114 117 A A S S- 0 0 22 -53,-0.1 -26,-0.2 1,-0.1 -2,-0.2 -0.358 79.1-106.3 -74.8 141.8 21.3 28.7 59.2 115 118 A P - 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r 0 572D 0 43,-2.3 45,-2.7 -2,-0.4 46,-0.2 -0.846 30.7-127.4-124.7 157.7 -35.6 27.8 59.8 529 238 B E S S+ 0 0 72 -26,-0.4 45,-0.5 -2,-0.3 2,-0.3 0.963 86.5 26.0 -67.7 -55.8 -36.2 29.0 63.5 530 239 B R S >> S- 0 0 150 42,-0.1 4,-1.4 43,-0.1 3,-0.6 -0.749 74.6-116.9-118.2 161.4 -39.3 31.1 63.1 531 240 B E H 3> S+ 0 0 89 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.874 108.3 60.2 -59.4 -44.4 -42.3 31.4 60.7 532 241 B G H 3> S+ 0 0 23 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.812 104.8 51.7 -60.5 -29.6 -41.6 34.9 59.4 533 242 B Q H X> S+ 0 0 32 -3,-0.6 4,-1.9 1,-0.2 3,-1.3 0.910 98.4 64.0 -71.4 -44.3 -38.3 33.6 58.1 534 243 B K H 3X S+ 0 0 5 -4,-1.4 4,-1.9 1,-0.3 -1,-0.2 0.821 102.4 52.0 -48.0 -31.9 -40.0 30.7 56.3 535 244 B K H 3X S+ 0 0 127 -4,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.722 103.9 54.3 -83.4 -22.0 -41.8 33.3 54.1 536 245 B M H << S+ 0 0 77 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.833 109.9 49.1 -74.8 -33.4 -38.6 35.2 53.1 537 246 B V H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.931 113.6 43.6 -70.6 -46.0 -37.2 32.0 51.9 538 247 B I H < S- 0 0 62 -4,-1.9 7,-1.7 -5,-0.2 6,-1.0 0.929 106.4-165.6 -60.4 -41.0 -40.3 31.2 49.9 539 248 B G >< - 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0 0 23 1,-0.1 4,-2.9 -6,-0.0 5,-0.3 -0.956 20.3 -97.1-160.8 172.8 -48.2 22.8 60.1 578 287 B D H > S+ 0 0 140 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.971 123.1 38.9 -64.1 -55.2 -51.7 21.7 59.2 579 288 B D H > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.868 119.5 50.5 -61.5 -34.8 -51.6 22.8 55.5 580 289 B E H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 106.5 50.3 -72.5 -49.2 -48.0 21.6 55.2 581 290 B R H X S+ 0 0 135 -4,-2.9 4,-1.2 1,-0.2 3,-0.2 0.944 114.3 45.2 -54.4 -50.6 -48.3 18.1 56.7 582 291 B A H < S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.787 113.5 52.7 -64.1 -27.4 -51.3 17.3 54.4 583 292 B L H < S+ 0 0 93 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.843 98.4 65.4 -74.4 -35.4 -49.3 18.9 51.6 584 293 B R H < S+ 0 0 68 -4,-2.4 2,-1.9 1,-0.2 -2,-0.2 0.916 91.8 61.8 -54.9 -53.5 -46.3 16.6 52.3 585 294 B S S < S+ 0 0 94 -4,-1.2 -1,-0.2 2,-0.1 2,-0.2 -0.550 92.6 84.9 -77.3 77.5 -48.0 13.4 51.4 586 295 B L 0 0 129 -2,-1.9 -3,-0.1 -3,-0.1 -2,-0.0 -0.724 360.0 360.0-153.2-157.6 -48.7 14.2 47.7 587 296 B G 0 0 121 -2,-0.2 -3,-0.1 0, 0.0 -2,-0.1 0.482 360.0 360.0-113.4 360.0 -47.3 14.1 44.2