==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-11 3QBO . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS CO92; . AUTHOR B.NOCEK,N.MALTSEVA,L.PAPAZISI,W.ANDERSON,A.JOACHIMIAK,CENTER . 717 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 476 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 2 0 0 0 6 0 1 1 0 0 1 2 3 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 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 0 PARALLEL BRIDGES PER LADDER . 3 5 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 6 0 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 3 A Q 0 0 183 0, 0.0 2,-0.4 0, 0.0 389,-0.0 0.000 360.0 360.0 360.0 129.8 59.9 68.8 -10.6 2 4 A V - 0 0 46 388,-0.2 2,-0.4 317,-0.1 317,-0.2 -0.743 360.0-176.6-105.5 138.1 60.7 69.6 -7.0 3 5 A Y E -a 319 0A 35 315,-3.0 317,-2.9 -2,-0.4 2,-0.6 -0.998 14.1-152.7-130.3 135.0 59.0 68.5 -3.7 4 6 A N E -a 320 0A 11 -2,-0.4 7,-0.4 315,-0.2 317,-0.2 -0.922 13.3-177.7-116.1 108.8 60.2 69.9 -0.4 5 7 A F + 0 0 1 315,-3.1 329,-1.6 -2,-0.6 316,-0.1 0.152 29.1 152.1 -95.3 22.5 59.7 67.6 2.6 6 8 A S - 0 0 7 389,-0.2 5,-0.4 1,-0.1 316,-0.1 -0.192 42.6-145.0 -61.2 139.2 61.1 70.1 5.1 7 9 A A S S+ 0 0 17 1,-0.3 3,-0.2 314,-0.1 -1,-0.1 0.653 75.9 17.4 -78.1 -18.4 59.8 70.0 8.7 8 10 A G S S+ 0 0 13 1,-1.0 390,-0.3 387,-0.1 -1,-0.3 -0.442 120.3 30.8 150.3 128.3 59.9 73.7 9.3 9 11 A P S S+ 0 0 0 0, 0.0 -1,-1.0 0, 0.0 2,-0.2 0.764 100.4 179.5 -59.4 164.8 60.0 76.3 7.9 10 12 A A - 0 0 0 188,-1.1 386,-0.1 184,-0.6 -3,-0.1 -0.757 28.1 -55.8-143.1 169.6 58.2 74.4 5.2 11 13 A M - 0 0 23 -7,-0.4 327,-0.3 -5,-0.4 328,-0.1 -0.252 45.5-149.8 -53.7 138.3 56.5 74.3 1.8 12 14 A L - 0 0 0 326,-0.1 186,-0.1 1,-0.1 5,-0.1 -0.785 40.2 -79.1-102.5 152.8 53.8 76.9 1.2 13 15 A P >> - 0 0 2 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.295 40.4-129.3 -55.4 134.8 50.9 76.2 -1.1 14 16 A V H 3> S+ 0 0 90 324,-0.3 4,-2.2 1,-0.3 5,-0.1 0.844 107.8 53.3 -59.8 -32.1 52.2 76.8 -4.5 15 17 A E H 3> S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.830 105.1 53.3 -74.3 -33.2 49.3 79.0 -5.3 16 18 A V H <> S+ 0 0 5 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.922 111.1 47.3 -62.9 -44.4 49.9 81.2 -2.3 17 19 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.901 109.9 51.9 -68.1 -40.6 53.5 81.7 -3.4 18 20 A R H X S+ 0 0 144 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.943 112.3 45.9 -56.6 -49.2 52.6 82.5 -6.9 19 21 A R H X S+ 0 0 87 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.879 112.8 49.6 -63.0 -41.8 50.1 85.2 -5.8 20 22 A A H X S+ 0 0 1 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.903 110.8 50.9 -63.3 -43.4 52.6 86.7 -3.3 21 23 A Q H >< S+ 0 0 34 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.933 109.7 52.0 -57.2 -47.6 55.2 86.8 -6.1 22 24 A Q H 3< S+ 0 0 117 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.853 118.6 33.7 -59.3 -39.6 52.7 88.5 -8.3 23 25 A E H 3< S+ 0 0 26 -4,-1.8 11,-0.3 1,-0.2 -1,-0.2 0.378 84.6 110.8-105.5 10.2 51.9 91.2 -5.8 24 26 A L S << S+ 0 0 3 -4,-0.9 11,-0.3 -3,-0.8 3,-0.2 0.836 92.1 23.1 -46.6 -46.6 55.3 91.5 -4.3 25 27 A R S S+ 0 0 99 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.2 0.754 131.5 35.7-101.7 -28.4 56.0 94.9 -5.7 26 28 A D S S- 0 0 84 -4,-0.3 2,-0.6 5,-0.1 3,-0.4 -0.871 72.3-172.5-130.7 94.6 52.6 96.3 -6.4 27 29 A W S > S- 0 0 5 5,-2.8 3,-1.6 -2,-0.4 5,-0.3 -0.809 73.0 -18.2 -96.3 116.5 50.0 95.2 -3.7 28 30 A H T 3 S- 0 0 96 -2,-0.6 -1,-0.2 1,-0.3 5,-0.0 0.874 120.7 -64.5 58.7 39.4 46.4 96.1 -4.4 29 31 A G T 3 S+ 0 0 62 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.463 107.1 121.9 67.2 5.0 47.5 98.8 -7.0 30 32 A L S < S- 0 0 46 -3,-1.6 -1,-0.1 2,-0.2 -2,-0.1 0.517 77.2-124.4 -77.9 -5.5 49.3 100.9 -4.3 31 33 A G S S+ 0 0 34 1,-0.2 2,-0.3 330,-0.0 330,-0.2 0.656 81.8 89.1 67.9 14.7 52.6 100.7 -6.1 32 34 A T S S- 0 0 3 -5,-0.3 -5,-2.8 -9,-0.1 -1,-0.2 -0.929 81.5-102.0-133.4 160.4 54.2 99.3 -2.9 33 35 A S > - 0 0 1 -2,-0.3 3,-1.7 -7,-0.2 4,-0.2 -0.516 30.6-117.9 -72.6 157.6 54.8 95.9 -1.3 34 36 A V T 3 S+ 0 0 4 -11,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.641 116.7 62.9 -60.1 -15.2 52.5 94.7 1.5 35 37 A M T 3 S+ 0 0 5 -11,-0.3 524,-0.4 1,-0.2 -1,-0.3 0.486 97.5 52.2 -92.8 -13.0 55.7 94.7 3.4 36 38 A E S < S+ 0 0 15 -3,-1.7 2,-0.2 332,-0.1 -1,-0.2 0.258 92.2 88.9-112.1 5.3 56.4 98.5 3.2 37 39 A V S S- 0 0 19 -3,-0.4 2,-0.2 -4,-0.2 203,-0.1 -0.669 83.4 -93.5-108.2 158.7 53.0 99.8 4.5 38 40 A S > - 0 0 35 -2,-0.2 3,-1.5 1,-0.1 6,-0.4 -0.457 22.4-130.6 -71.5 146.0 51.9 100.6 8.0 39 41 A H T 3 S+ 0 0 23 1,-0.3 -1,-0.1 328,-0.2 9,-0.1 0.509 109.7 56.9 -72.2 -3.6 50.1 98.0 10.0 40 42 A R T 3 S+ 0 0 131 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.365 78.9 115.9-108.8 1.0 47.5 100.7 10.7 41 43 A S S <> S- 0 0 21 -3,-1.5 4,-2.2 1,-0.1 5,-0.1 -0.258 80.2-115.4 -57.7 156.4 46.7 101.5 7.1 42 44 A K H > S+ 0 0 188 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.902 116.2 55.7 -56.7 -38.7 43.2 100.7 6.0 43 45 A E H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 109.7 40.4 -69.6 -45.4 44.7 98.1 3.7 44 46 A F H > S+ 0 0 3 -6,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.906 109.6 61.1 -71.5 -39.3 46.6 96.1 6.3 45 47 A M H X S+ 0 0 53 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.884 102.6 52.3 -47.0 -45.6 43.8 96.4 8.7 46 48 A Q H X S+ 0 0 79 -4,-1.7 4,-3.6 2,-0.2 5,-0.3 0.960 108.3 49.6 -58.2 -53.8 41.6 94.6 6.2 47 49 A V H X S+ 0 0 16 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.919 111.2 51.2 -48.8 -48.7 44.1 91.7 5.9 48 50 A A H X S+ 0 0 11 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.924 116.0 39.7 -61.2 -47.2 44.2 91.6 9.8 49 51 A E H X S+ 0 0 134 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.939 115.6 50.1 -68.1 -48.6 40.4 91.4 10.0 50 52 A E H X S+ 0 0 78 -4,-3.6 4,-3.6 1,-0.2 5,-0.2 0.927 112.3 48.8 -55.3 -43.6 39.8 89.0 7.0 51 53 A S H X S+ 0 0 2 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.868 111.4 47.9 -70.3 -37.9 42.5 86.6 8.3 52 54 A E H X S+ 0 0 52 -4,-1.6 4,-2.1 -5,-0.3 5,-0.2 0.942 115.5 46.0 -64.9 -44.1 41.0 86.5 11.8 53 55 A K H X S+ 0 0 123 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.954 111.6 50.8 -62.2 -46.6 37.6 85.9 10.4 54 56 A D H X S+ 0 0 20 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.884 110.8 49.9 -59.8 -37.6 38.8 83.3 7.9 55 57 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.892 108.8 50.9 -69.3 -41.2 40.6 81.4 10.8 56 58 A R H X>S+ 0 0 52 -4,-2.1 5,-1.4 1,-0.2 4,-0.9 0.891 112.9 47.4 -60.5 -42.3 37.5 81.4 13.0 57 59 A D H <5S+ 0 0 63 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.923 112.9 47.7 -64.0 -45.0 35.5 80.0 10.2 58 60 A L H <5S+ 0 0 16 -4,-2.3 201,-0.4 1,-0.2 -2,-0.2 0.890 125.3 27.4 -69.7 -43.3 38.0 77.3 9.3 59 61 A L H <5S- 0 0 3 -4,-2.2 124,-0.4 -5,-0.2 -1,-0.2 0.442 105.0-124.4 -95.6 -6.2 38.6 76.0 12.7 60 62 A N T <5 - 0 0 127 -4,-0.9 123,-0.2 -5,-0.2 -3,-0.2 0.962 35.7-169.2 59.6 55.2 35.1 77.0 14.0 61 63 A V < - 0 0 15 -5,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.588 19.3-122.7 -75.7 132.2 36.5 79.1 16.9 62 64 A P > - 0 0 42 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.414 22.4-108.4 -73.0 160.0 33.8 80.1 19.4 63 65 A A T 3 S+ 0 0 94 1,-0.3 -2,-0.0 -2,-0.1 -7,-0.0 0.732 113.7 66.5 -55.8 -29.5 33.1 83.8 20.2 64 66 A N T 3 S+ 0 0 60 2,-0.1 145,-2.8 144,-0.0 2,-0.4 0.402 87.6 84.4 -77.5 1.9 34.6 83.3 23.7 65 67 A Y E < S-B 208 0B 5 -3,-1.7 2,-0.3 143,-0.2 143,-0.2 -0.886 71.6-138.9-106.2 138.8 38.1 82.7 22.4 66 68 A K E -B 207 0B 79 141,-3.2 141,-2.1 -2,-0.4 2,-0.6 -0.730 10.0-147.1 -88.5 144.7 40.6 85.4 21.4 67 69 A V E -B 206 0B 6 -2,-0.3 2,-0.3 139,-0.2 139,-0.2 -0.946 23.9-176.6-115.7 109.8 42.6 84.9 18.3 68 70 A L E -B 205 0B 4 137,-2.9 137,-2.2 -2,-0.6 2,-0.5 -0.797 22.5-151.8-113.8 146.1 46.1 86.4 18.6 69 71 A F E -B 204 0B 6 -2,-0.3 2,-0.3 135,-0.2 135,-0.2 -0.981 30.0-174.5-117.3 125.6 49.1 86.7 16.3 70 72 A C E -B 203 0B 2 133,-3.5 133,-1.9 -2,-0.5 3,-0.3 -0.800 25.0-123.7-126.9 151.3 52.4 86.8 18.1 71 73 A H S S+ 0 0 8 151,-0.4 131,-0.1 -2,-0.3 359,-0.1 -0.558 79.2 47.7 -76.0 153.8 56.0 87.3 17.7 72 74 A G S > S- 0 0 1 -2,-0.2 4,-0.7 129,-0.1 -1,-0.2 0.377 89.1-104.4 111.1 -2.1 58.5 84.7 18.8 73 75 A G H >> - 0 0 4 -3,-0.3 4,-0.8 1,-0.2 3,-0.7 -0.018 56.6 -61.4 75.8-178.9 57.8 81.2 17.7 74 76 A A H 3> S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.822 129.6 68.1 -77.9 -27.2 56.4 78.4 19.8 75 77 A R H 34 S+ 0 0 43 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.810 96.3 55.1 -61.3 -27.9 59.5 78.5 22.1 76 78 A A H XX S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.7 3,-1.2 0.880 104.4 55.4 -64.1 -39.3 58.3 82.0 23.3 77 79 A Q H 3X S+ 0 0 0 -4,-0.8 4,-2.9 -3,-0.3 -2,-0.2 0.780 93.2 66.9 -69.4 -29.0 55.0 80.3 24.1 78 80 A F H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.773 115.3 31.2 -57.2 -28.8 56.9 77.8 26.3 79 81 A A H <> S+ 0 0 0 -3,-1.2 4,-1.9 -4,-0.5 -2,-0.3 0.785 118.2 54.9 -92.0 -37.9 57.6 80.9 28.5 80 82 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.839 102.2 58.4 -70.9 -31.5 54.4 82.8 27.7 81 83 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.989 110.2 38.9 -59.9 -59.7 52.2 79.9 28.8 82 84 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.906 117.6 52.1 -60.5 -37.9 53.4 79.6 32.4 83 85 A L H < S+ 0 0 9 -4,-1.9 133,-1.7 1,-0.2 4,-0.3 0.937 117.5 35.9 -64.4 -47.7 53.7 83.3 32.7 84 86 A N H < S+ 0 0 7 -4,-2.6 130,-0.3 131,-0.2 -1,-0.2 0.798 130.1 31.1 -69.7 -28.9 50.1 84.0 31.6 85 87 A L H < S+ 0 0 22 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.744 87.5 85.2-113.8 -27.5 48.6 80.9 33.2 86 88 A L >< + 0 0 20 -4,-2.6 3,-1.3 -5,-0.3 5,-0.2 0.829 64.1 167.6 -52.2 -36.1 50.3 79.8 36.4 87 89 A G T 3 - 0 0 32 127,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.294 66.4 -19.8 62.7-136.5 48.1 82.3 38.2 88 90 A D T 3 S+ 0 0 167 -3,-0.1 -1,-0.3 54,-0.0 -2,-0.1 0.739 121.2 91.6 -76.0 -19.4 48.1 81.9 42.0 89 91 A R S < S- 0 0 132 -3,-1.3 52,-0.1 -4,-0.2 3,-0.1 -0.160 70.3-135.6 -85.6 171.8 49.4 78.3 41.7 90 92 A N S S+ 0 0 117 50,-0.2 23,-1.4 1,-0.1 2,-0.3 0.421 73.7 7.3-114.3 -8.8 52.8 76.7 41.7 91 93 A S - 0 0 29 49,-0.4 51,-2.8 21,-0.2 2,-0.3 -0.977 51.3-148.2-159.9-179.5 52.8 74.2 38.9 92 94 A A - 0 0 0 49,-0.3 23,-2.1 -2,-0.3 2,-0.4 -0.914 34.5 -97.2-144.5 161.1 51.0 72.7 36.0 93 95 A D E -cd 115 144B 0 50,-3.2 52,-3.4 -2,-0.3 2,-0.6 -0.766 33.1-162.8 -90.9 131.1 50.9 69.2 34.5 94 96 A Y E -cd 116 145B 1 21,-2.3 23,-2.3 -2,-0.4 2,-0.5 -0.952 9.9-146.4-119.0 114.0 53.2 68.5 31.5 95 97 A V E -c 117 0B 2 50,-2.7 2,-0.7 -2,-0.6 52,-0.3 -0.656 14.6-159.0 -78.8 123.1 52.5 65.6 29.4 96 98 A D E +c 118 0B 27 21,-2.9 23,-1.7 -2,-0.5 24,-0.5 -0.859 38.2 135.9-114.4 99.5 55.8 64.2 28.1 97 99 A G S S- 0 0 7 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.032 71.3 -18.8-128.3 26.5 55.5 62.1 25.0 98 100 A G S > S- 0 0 12 1,-0.1 4,-2.4 -3,-0.0 -1,-0.2 -0.926 87.1 -51.1 156.9-174.8 58.4 63.4 22.9 99 101 A Y H > S+ 0 0 104 -2,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.824 122.5 42.9 -56.8 -47.6 61.0 66.1 22.2 100 102 A W H > S+ 0 0 47 2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.893 113.4 50.8 -75.0 -39.1 58.8 69.2 21.9 101 103 A A H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 113.0 49.4 -58.0 -40.4 56.7 68.4 25.0 102 104 A H H X S+ 0 0 101 -4,-2.4 4,-2.0 1,-0.2 -2,-0.3 0.941 105.8 56.1 -65.8 -44.3 60.1 67.9 26.7 103 105 A S H X S+ 0 0 10 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.867 106.2 50.6 -54.4 -39.2 61.3 71.3 25.4 104 106 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.887 107.5 53.5 -70.0 -39.5 58.4 73.1 27.0 105 107 A I H X S+ 0 0 4 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.923 104.7 55.1 -57.4 -46.2 59.0 71.4 30.3 106 108 A K H < S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.5 41.7 -64.3 -31.1 62.6 72.6 30.3 107 109 A E H >< S+ 0 0 14 -4,-1.3 3,-2.3 1,-0.2 4,-0.4 0.861 106.0 63.8 -81.0 -37.9 61.6 76.2 29.9 108 110 A A H >X S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.3 4,-1.1 0.845 85.8 75.5 -51.1 -35.1 58.7 75.9 32.3 109 111 A Q T 3< S+ 0 0 118 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.630 86.3 62.7 -59.6 -11.5 61.3 75.2 35.0 110 112 A K T <4 S+ 0 0 59 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.846 115.6 29.5 -72.7 -34.4 62.1 78.9 35.0 111 113 A Y T <4 S- 0 0 32 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.410 129.0 -11.4-110.4 -3.1 58.6 79.7 36.2 112 114 A C S < S- 0 0 16 -4,-1.1 -21,-0.2 2,-0.0 -22,-0.1 -0.925 72.6 -86.0-172.7-172.4 57.4 76.8 38.2 113 115 A T - 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0 0 8 -2,-0.2 3,-0.9 -141,-0.1 -140,-0.1 0.069 51.2 -77.8 -72.4-177.9 65.1 106.5 5.4 696 339 B N T 3 S+ 0 0 12 1,-0.2 -141,-0.1 -141,-0.1 -325,-0.1 0.863 127.7 57.4 -50.7 -44.0 68.1 105.0 3.5 697 340 B A T 3 S+ 0 0 13 -327,-0.3 -324,-0.3 -141,-0.1 -1,-0.2 0.810 87.1 90.6 -61.9 -33.1 66.0 103.4 0.8 698 341 B M S < S- 0 0 5 -3,-0.9 2,-0.1 -328,-0.1 -336,-0.0 -0.533 73.1-143.0 -69.4 119.3 64.4 106.7 -0.2 699 342 B P >> - 0 0 47 0, 0.0 4,-1.3 0, 0.0 3,-1.2 -0.434 24.7-110.2 -77.5 160.8 66.5 108.5 -2.9 700 343 B I H 3> S+ 0 0 66 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 119.2 64.9 -55.5 -36.2 67.0 112.2 -3.1 701 344 B E H 3> S+ 0 0 112 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.818 99.2 52.5 -58.7 -33.7 64.7 112.1 -6.2 702 345 B G H <> S+ 0 0 0 -3,-1.2 4,-1.4 2,-0.2 -1,-0.3 0.918 110.0 46.0 -65.8 -45.8 62.0 111.0 -3.9 703 346 B V H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.839 110.6 55.9 -69.6 -30.7 62.6 114.0 -1.6 704 347 B K H X S+ 0 0 101 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.928 103.6 51.5 -68.0 -44.3 62.7 116.3 -4.6 705 348 B A H X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 111.9 49.4 -60.9 -33.6 59.3 115.2 -5.8 706 349 B L H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.933 113.4 44.0 -71.5 -44.0 58.0 116.0 -2.3 707 350 B T H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.918 113.6 51.4 -68.7 -39.0 59.7 119.4 -2.1 708 351 B D H X S+ 0 0 87 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.948 112.6 46.9 -58.8 -45.5 58.6 120.2 -5.7 709 352 B F H X S+ 0 0 12 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.935 109.5 53.2 -60.4 -43.0 55.1 119.2 -4.7 710 353 B M H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.869 109.9 49.6 -60.8 -33.1 55.4 121.3 -1.5 711 354 B A H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 109.8 48.8 -74.3 -39.4 56.4 124.3 -3.6 712 355 B D H X S+ 0 0 47 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 111.4 50.7 -66.0 -40.6 53.5 124.0 -6.1 713 356 B F H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.939 110.5 47.3 -67.2 -46.0 51.1 123.7 -3.3 714 357 B E H X S+ 0 0 54 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.899 108.5 56.9 -62.0 -39.1 52.3 126.8 -1.4 715 358 B R H < S+ 0 0 171 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.949 113.6 40.8 -55.4 -46.2 52.2 128.6 -4.7 716 359 B R H < S+ 0 0 170 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 129.6 22.1 -63.1 -52.4 48.5 127.7 -5.1 717 360 B H H < 0 0 80 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.280 360.0 360.0-114.5 3.0 47.2 128.2 -1.5 718 361 B G < 0 0 78 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.414 360.0 360.0 -80.6 360.0 49.6 130.5 0.1