==== 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 TRANSFERASE 16-MAY-07 2Z1Y . COMPND 2 MOLECULE: ALPHA-AMINODIPATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.TOMITA,T.MIYAZAKI,T.MIYAGAWA,S.FUSHINOBU,T.KUZUYAMA,M.NISH . 785 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 7.4 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 . 0 0.0 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 . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 0 2 1 3 0 4 4 1 2 1 2 0 0 0 2 1 1 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 0 0 PARALLEL BRIDGES PER LADDER . 4 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 L 0 0 86 0, 0.0 2,-0.5 0, 0.0 584,-0.1 0.000 360.0 360.0 360.0 134.3 60.5 -5.1 36.5 2 5 A S > - 0 0 58 582,-0.3 4,-1.1 1,-0.2 0, 0.0 -0.948 360.0-172.3-117.1 112.8 57.1 -6.2 37.8 3 6 A W H >> S+ 0 0 10 -2,-0.5 4,-2.2 2,-0.2 3,-1.2 0.958 88.4 55.5 -66.7 -51.3 54.1 -5.1 35.8 4 7 A S H 34 S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.2 7,-0.1 0.882 112.8 46.5 -48.5 -38.9 51.5 -6.4 38.2 5 8 A E H 34 S+ 0 0 152 1,-0.2 -1,-0.3 0, 0.0 -2,-0.2 0.751 110.8 51.9 -75.0 -25.2 53.3 -4.2 40.7 6 9 A A H << S+ 0 0 16 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.729 89.5 93.7 -85.2 -25.4 53.5 -1.2 38.4 7 10 A F < - 0 0 26 -4,-2.2 492,-0.3 1,-0.1 2,-0.1 -0.259 68.2-133.4 -67.7 156.8 49.8 -1.0 37.5 8 11 A G >> - 0 0 9 490,-3.1 3,-1.0 492,-0.1 4,-0.5 -0.319 38.8 -83.0 -97.6-173.9 47.4 1.3 39.4 9 12 A K G >4 S+ 0 0 99 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.834 123.2 67.9 -63.7 -30.6 43.9 0.4 40.7 10 13 A G G >4 S+ 0 0 3 490,-0.3 3,-1.8 1,-0.3 4,-0.3 0.858 91.6 61.3 -56.4 -36.3 42.3 1.0 37.4 11 14 A A G <4 S+ 0 0 3 -3,-1.0 3,-0.5 487,-0.6 -1,-0.3 0.764 101.5 53.0 -62.7 -25.5 44.1 -2.0 36.0 12 15 A G G << S+ 0 0 60 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.307 105.7 54.8 -92.8 11.0 42.3 -4.2 38.5 13 16 A R S < S+ 0 0 50 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.304 97.0 61.9-121.1 3.1 38.9 -2.9 37.4 14 17 A I + 0 0 4 -3,-0.5 -2,-0.1 -4,-0.3 638,-0.1 0.099 63.6 116.0-118.6 21.5 39.0 -3.6 33.7 15 18 A Q + 0 0 86 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.792 45.0 100.5 -62.2 -32.8 39.4 -7.4 33.8 16 19 A A - 0 0 43 -3,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.341 48.0-176.1 -59.1 134.9 36.1 -8.2 32.1 17 20 A S > + 0 0 21 1,-0.1 4,-2.3 2,-0.1 5,-0.2 0.146 45.4 115.6-120.1 17.7 36.7 -9.0 28.4 18 21 A T H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 77.0 52.8 -53.4 -49.0 33.2 -9.4 27.1 19 22 A I H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 112.7 39.9 -56.2 -54.9 33.6 -6.5 24.8 20 23 A R H > S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.838 114.9 54.6 -67.3 -27.9 36.8 -7.5 23.0 21 24 A E H < S+ 0 0 122 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.932 109.3 46.8 -70.8 -38.4 35.6 -11.1 22.9 22 25 A L H < S+ 0 0 34 -4,-2.8 10,-0.3 -5,-0.2 -2,-0.2 0.837 115.7 46.9 -69.9 -31.0 32.3 -10.1 21.1 23 26 A L H < 0 0 11 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.674 360.0 360.0 -85.7 -17.2 34.2 -7.9 18.7 24 27 A K < 0 0 191 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.905 360.0 360.0 -59.6 360.0 37.0 -10.4 17.7 25 ! 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 26 33 A G 0 0 99 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.7 31.2 -21.6 10.1 27 34 A I - 0 0 82 315,-0.1 2,-0.6 1,-0.0 315,-0.3 -0.682 360.0-141.6 -83.2 129.7 29.9 -20.4 13.5 28 35 A L E -a 342 0A 35 313,-2.5 315,-2.1 -2,-0.4 2,-0.5 -0.826 21.3-138.5 -94.3 123.6 26.6 -18.6 13.4 29 36 A S E +a 343 0A 44 -2,-0.6 338,-0.4 313,-0.2 337,-0.2 -0.708 43.7 156.3 -96.4 127.4 26.5 -15.7 15.8 30 37 A F + 0 0 1 313,-2.3 333,-1.9 -2,-0.5 315,-0.5 -0.150 66.3 91.8-120.1 26.0 23.7 -14.6 18.1 31 38 A A S S+ 0 0 10 313,-0.3 314,-0.2 331,-0.2 -9,-0.1 0.863 71.7 41.6 -88.3 -92.1 26.4 -13.0 20.3 32 39 A G S S- 0 0 2 -10,-0.3 2,-2.4 1,-0.1 334,-0.3 -0.196 83.1-115.3 -60.2 148.7 27.2 -9.3 19.7 33 40 A G + 0 0 0 754,-3.3 -1,-0.1 332,-0.1 286,-0.1 -0.405 54.0 165.9 -80.2 62.6 24.5 -6.9 19.0 34 41 A L - 0 0 35 -2,-2.4 197,-0.1 329,-0.1 423,-0.1 -0.699 35.4-121.7 -83.6 120.6 25.8 -6.3 15.5 35 42 A P - 0 0 5 0, 0.0 423,-0.1 0, 0.0 331,-0.1 -0.158 39.6 -79.8 -61.4 158.1 23.3 -4.6 13.2 36 43 A A > - 0 0 1 195,-0.2 3,-1.4 1,-0.2 4,-0.3 -0.391 35.4-153.5 -58.0 117.5 22.1 -6.1 10.0 37 44 A P G > S+ 0 0 25 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.774 89.4 72.2 -68.0 -21.8 24.7 -5.6 7.3 38 45 A E G 3 S+ 0 0 83 1,-0.3 -2,-0.1 328,-0.2 328,-0.0 0.683 94.1 57.2 -67.2 -13.7 22.1 -5.7 4.5 39 46 A L G < S+ 0 0 24 -3,-1.4 -1,-0.3 2,-0.1 -3,-0.1 0.617 78.3 110.2 -90.5 -13.2 21.0 -2.3 5.8 40 47 A F < - 0 0 14 -3,-1.5 2,-1.7 -4,-0.3 3,-0.2 -0.427 69.1-136.4 -65.0 132.2 24.5 -0.6 5.4 41 48 A P > + 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.559 37.3 165.1 -89.7 73.2 24.3 1.9 2.5 42 49 A K H > S+ 0 0 63 -2,-1.7 4,-2.4 2,-0.2 5,-0.2 0.926 70.8 43.2 -56.7 -50.7 27.6 0.8 1.0 43 50 A E H > S+ 0 0 111 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 116.8 45.4 -65.9 -47.0 27.2 2.5 -2.4 44 51 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 114.1 51.1 -62.0 -38.3 25.8 5.8 -1.1 45 52 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.901 108.4 51.5 -66.8 -38.6 28.5 5.8 1.6 46 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.930 112.5 45.0 -63.7 -46.1 31.2 5.3 -1.0 47 54 A E H X S+ 0 0 75 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 116.1 47.0 -63.6 -43.0 30.0 8.2 -3.1 48 55 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 111.6 48.8 -66.9 -42.7 29.6 10.5 -0.1 49 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.900 112.9 48.3 -65.5 -40.8 33.0 9.7 1.4 50 57 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.916 112.3 48.8 -66.7 -40.2 34.7 10.3 -1.9 51 58 A R H X S+ 0 0 84 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.905 111.3 50.3 -65.2 -41.2 32.9 13.6 -2.4 52 59 A I H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 8,-0.3 0.935 112.8 45.5 -61.5 -45.5 33.7 14.7 1.1 53 60 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 3,-0.2 -2,-0.2 0.877 117.4 44.0 -69.6 -35.2 37.4 13.9 0.6 54 61 A R H < S+ 0 0 109 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.926 126.4 28.4 -74.2 -44.2 37.6 15.5 -2.8 55 62 A E H < S+ 0 0 130 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.746 140.8 16.5 -90.5 -25.5 35.7 18.7 -2.0 56 63 A K H >X S+ 0 0 86 -4,-2.4 4,-2.8 -5,-0.4 3,-1.4 0.061 80.7 124.0-137.1 25.8 36.3 19.1 1.7 57 64 A G H 3X + 0 0 0 -4,-0.8 4,-2.3 1,-0.3 5,-0.2 0.797 69.4 64.2 -58.8 -32.4 39.3 16.9 2.3 58 65 A E H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.781 114.5 33.3 -62.7 -27.6 41.3 19.8 3.8 59 66 A V H X4 S+ 0 0 64 -3,-1.4 3,-0.9 2,-0.1 -2,-0.2 0.858 116.7 53.0 -92.7 -47.4 38.8 19.9 6.6 60 67 A A H 3< S+ 0 0 0 -4,-2.8 206,-0.8 -8,-0.3 205,-0.3 0.823 114.8 41.8 -60.2 -32.1 37.9 16.3 6.9 61 68 A L T 3< S+ 0 0 4 -4,-2.3 570,-2.4 -5,-0.2 571,-0.4 0.516 103.5 81.4 -96.5 -3.7 41.5 15.2 7.3 62 69 A Q S < S- 0 0 13 -3,-0.9 203,-0.2 568,-0.2 367,-0.0 -0.549 97.1 -77.3 -98.4 161.8 42.6 18.0 9.6 63 70 A Y - 0 0 11 -2,-0.2 -1,-0.1 367,-0.1 568,-0.1 -0.342 59.0-168.3 -54.4 140.7 42.2 18.3 13.4 64 71 A S - 0 0 6 566,-0.1 351,-0.1 1,-0.1 350,-0.1 -0.792 28.0 -60.0-131.4 170.9 38.6 19.4 14.1 65 72 A P > - 0 0 14 0, 0.0 3,-0.7 0, 0.0 198,-0.3 -0.191 33.7-136.0 -60.4 142.1 36.5 20.7 17.0 66 73 A T T 3 S+ 0 0 0 1,-0.2 197,-0.4 345,-0.2 23,-0.1 0.865 104.5 59.1 -60.6 -39.2 36.1 18.7 20.2 67 74 A E T 3 S- 0 0 18 1,-0.2 22,-1.9 344,-0.1 -1,-0.2 0.732 115.2-108.3 -65.2 -25.4 32.4 19.5 20.3 68 75 A G < - 0 0 4 -3,-0.7 2,-0.2 20,-0.2 -1,-0.2 -0.351 47.8 -37.0 117.8 162.8 31.8 17.9 16.9 69 76 A Y >> - 0 0 25 1,-0.1 4,-2.4 -2,-0.1 3,-0.6 -0.389 55.6-135.9 -60.4 121.6 31.1 18.8 13.3 70 77 A A H 3> S+ 0 0 66 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.875 99.6 50.7 -51.3 -49.8 28.6 21.8 13.4 71 78 A P H 3> S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 113.0 48.2 -59.8 -34.1 26.2 20.6 10.7 72 79 A L H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.906 109.6 50.6 -72.8 -42.0 25.9 17.2 12.5 73 80 A R H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 113.0 49.4 -60.7 -36.2 25.4 18.8 15.9 74 81 A A H X S+ 0 0 43 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.918 110.0 48.9 -66.7 -44.5 22.7 20.9 14.2 75 82 A F H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 113.6 46.4 -61.1 -46.5 21.0 17.8 12.6 76 83 A V H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.905 111.3 52.8 -63.4 -42.2 21.0 16.0 15.9 77 84 A A H X>S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.3 5,-2.1 0.929 111.5 45.2 -60.7 -45.7 19.6 19.0 17.7 78 85 A E H <5S+ 0 0 153 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.906 115.7 47.9 -64.4 -41.8 16.8 19.3 15.2 79 86 A W H <5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.958 120.4 34.9 -64.3 -50.8 16.1 15.6 15.4 80 87 A I H <5S- 0 0 4 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.793 112.4-111.9 -76.8 -29.7 16.1 15.4 19.2 81 88 A G T <5S+ 0 0 41 -4,-2.7 2,-0.2 -5,-0.3 -3,-0.2 0.809 74.7 102.2 101.3 39.6 14.6 18.8 19.9 82 89 A V S - 0 0 121 -2,-0.2 3,-2.4 1,-0.1 4,-0.1 -0.673 39.9-120.3 -88.1 146.7 19.8 23.6 20.7 84 91 A P G > S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.854 112.8 61.1 -53.6 -37.1 23.0 22.6 18.7 85 92 A E G 3 S+ 0 0 93 1,-0.3 -11,-0.0 3,-0.0 -12,-0.0 0.565 95.3 63.1 -71.2 -2.8 25.2 23.8 21.6 86 93 A E G < S+ 0 0 37 -3,-2.4 158,-1.4 -13,-0.1 2,-0.4 0.226 90.9 86.2-101.4 12.7 23.5 21.2 23.8 87 94 A V E < -B 243 0B 0 -3,-1.8 2,-0.5 156,-0.2 156,-0.2 -0.947 54.2-171.6-118.8 129.4 24.9 18.4 21.7 88 95 A L E -B 242 0B 0 154,-2.6 154,-2.1 -2,-0.4 2,-0.4 -0.984 19.3-140.1-117.6 124.5 28.3 16.7 22.0 89 96 A I E -B 241 0B 0 -22,-1.9 152,-0.3 -2,-0.5 2,-0.3 -0.727 26.6-168.7 -82.9 133.2 29.3 14.3 19.2 90 97 A T E -B 240 0B 0 150,-2.2 150,-2.4 -2,-0.4 2,-2.0 -0.816 36.1-103.8-122.3 163.0 31.1 11.3 20.7 91 98 A T S > S- 0 0 0 -2,-0.3 4,-0.5 148,-0.2 148,-0.3 -0.583 98.4 -37.3 -84.7 74.3 33.1 8.3 19.3 92 99 A G H >> S- 0 0 0 -2,-2.0 4,-1.1 146,-0.2 3,-0.7 0.157 76.3 -89.2 82.6 154.6 30.2 6.0 19.8 93 100 A S H 3> S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.699 124.0 73.9 -72.3 -11.8 27.9 6.2 22.8 94 101 A Q H 3> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 96.2 50.5 -63.3 -40.2 30.3 3.9 24.6 95 102 A Q H - 0 0 18 -2,-0.3 3,-2.6 293,-0.1 22,-0.1 -0.889 53.3 -63.2-138.2 165.8 34.6 8.5 42.4 107 114 A E T 3 S+ 0 0 91 -2,-0.3 22,-0.2 1,-0.3 24,-0.1 -0.336 125.4 4.8 -55.2 128.6 36.0 5.5 44.3 108 115 A G T 3 S+ 0 0 35 21,-3.4 -1,-0.3 1,-0.2 21,-0.1 0.387 92.6 144.1 76.9 0.1 33.1 4.2 46.4 109 116 A S < - 0 0 4 -3,-2.6 22,-2.8 19,-0.2 -1,-0.2 -0.469 53.5-113.6 -73.3 141.9 30.5 6.5 45.0 110 117 A P E +c 131 0B 18 0, 0.0 47,-3.2 0, 0.0 2,-0.3 -0.507 37.7 174.9 -75.7 137.6 27.0 5.0 44.7 111 118 A V E -c 132 0B 0 20,-2.0 22,-2.9 45,-0.3 2,-0.4 -0.989 17.9-142.0-140.6 143.9 25.6 4.6 41.2 112 119 A L E +cd 133 159B 1 46,-2.2 48,-2.9 -2,-0.3 2,-0.3 -0.923 31.8 141.0-116.4 135.8 22.3 2.9 40.3 113 120 A L E -c 134 0B 0 20,-2.1 22,-0.7 -2,-0.4 48,-0.1 -0.935 48.7 -85.8-153.2 171.6 21.5 0.6 37.3 114 121 A E E -c 135 0B 2 46,-0.5 238,-0.3 -2,-0.3 23,-0.0 -0.372 41.9-101.9 -83.2 163.9 19.4 -2.5 36.8 115 122 A A E S+c 136 0B 23 20,-2.2 22,-1.1 1,-0.2 236,-0.2 -0.962 114.4 26.5-123.3 107.6 20.4 -6.1 37.3 116 123 A P S S+ 0 0 6 0, 0.0 2,-0.3 0, 0.0 235,-0.2 0.615 92.5 143.4 -82.5 169.3 20.9 -7.0 34.5 117 124 A S - 0 0 0 233,-2.1 2,-0.3 -2,-0.1 44,-0.0 -0.896 57.9 -43.3-153.2-176.2 21.9 -4.0 32.5 118 125 A Y >> - 0 0 14 -2,-0.3 4,-2.3 1,-0.2 3,-0.9 -0.353 43.1-148.3 -64.3 120.8 24.3 -3.1 29.6 119 126 A M H 3> S+ 0 0 8 1,-0.3 4,-2.7 -2,-0.3 -1,-0.2 0.822 96.6 57.2 -58.7 -31.6 27.7 -4.7 30.1 120 127 A G H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.845 107.6 46.7 -67.5 -33.9 29.5 -1.8 28.4 121 128 A A H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.919 112.2 50.5 -73.9 -42.1 28.0 0.7 30.8 122 129 A I H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.933 112.5 48.0 -59.0 -45.4 28.9 -1.5 33.8 123 130 A Q H X S+ 0 0 14 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.929 112.3 47.5 -60.2 -48.3 32.5 -1.7 32.3 124 131 A A H < S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.939 117.9 42.5 -60.2 -45.7 32.8 2.1 31.8 125 132 A F H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 4,-0.2 0.880 104.5 63.5 -70.7 -35.7 31.5 2.7 35.3 126 133 A R H >< S+ 0 0 82 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.806 88.3 72.4 -58.1 -31.9 33.5 0.0 37.0 127 134 A L T 3< S+ 0 0 16 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.778 94.5 53.0 -52.9 -31.3 36.7 1.8 36.0 128 135 A Q T < S- 0 0 29 -3,-1.8 -1,-0.3 -4,-0.3 -19,-0.2 0.461 110.9-121.7 -86.5 -2.6 35.9 4.5 38.6 129 136 A G < + 0 0 18 -3,-2.2 -21,-3.4 -4,-0.2 -3,-0.2 0.847 50.6 166.9 66.2 38.4 35.5 2.0 41.4 130 137 A P - 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0 0 3 -158,-1.2 -20,-0.1 -2,-0.4 -22,-0.1 -0.975 59.0 -64.7-161.4 170.6 54.4 -2.6 24.6 640 252 B H >> - 0 0 76 -24,-0.5 4,-2.9 -2,-0.3 3,-0.9 -0.355 61.6-106.7 -58.0 143.3 55.4 -5.9 26.2 641 253 B P H 3> S+ 0 0 57 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.808 117.2 56.7 -45.3 -39.9 52.2 -8.2 26.1 642 254 B E H 3> S+ 0 0 96 2,-0.2 4,-0.9 1,-0.2 -2,-0.0 0.910 115.2 36.7 -64.5 -39.7 51.5 -7.8 29.9 643 255 B A H <> S+ 0 0 0 -3,-0.9 4,-1.7 2,-0.2 3,-0.3 0.901 115.8 54.1 -77.4 -42.4 51.3 -4.0 29.6 644 256 B L H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.906 102.6 58.3 -59.5 -39.0 49.6 -4.1 26.2 645 257 B Q H X S+ 0 0 79 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.887 104.9 50.0 -59.8 -38.3 46.9 -6.4 27.4 646 258 B K H X S+ 0 0 39 -4,-0.9 4,-2.4 -3,-0.3 -1,-0.2 0.889 109.7 51.2 -67.6 -37.0 45.9 -3.8 30.1 647 259 B L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.908 111.0 48.1 -65.0 -39.6 45.7 -1.1 27.5 648 260 B V H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.930 110.4 52.4 -65.7 -43.6 43.5 -3.3 25.3 649 261 B Q H X S+ 0 0 9 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.913 111.6 46.3 -58.0 -42.1 41.3 -4.0 28.4 650 262 B A H X S+ 0 0 6 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.861 105.1 60.6 -68.5 -36.3 41.0 -0.3 29.0 651 263 B K H >X>S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.9 0.843 91.2 69.7 -62.3 -33.8 40.2 0.5 25.4 652 264 B Q H 3X5S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.931 106.8 35.8 -46.1 -58.1 37.1 -1.7 25.4 653 265 B G H 3<5S+ 0 0 5 -4,-0.7 -1,-0.3 -3,-0.3 -555,-0.2 0.588 110.6 65.6 -77.5 -8.7 35.2 0.7 27.7 654 266 B A H <<5S- 0 0 3 -4,-0.8 -556,-0.2 -3,-0.7 -2,-0.2 0.922 135.8 -32.0 -80.0 -49.1 36.7 3.8 26.2 655 267 B D H <5S- 0 0 0 -4,-2.0 2,-2.5 -561,-0.1 -560,-0.2 0.306 72.3-119.2-157.1 16.8 35.2 3.5 22.7 656 268 B L S < - 0 0 0 0, 0.0 4,-1.3 0, 0.0 -422,-0.2 -0.124 42.2-146.2 -40.2 127.9 36.6 3.5 13.6 660 272 B M H > S+ 0 0 9 -424,-1.3 4,-2.6 -205,-0.3 5,-0.3 0.914 93.0 54.3 -69.4 -48.3 37.2 0.7 11.1 661 273 B L H > S+ 0 0 0 -206,-0.8 4,-2.7 -425,-0.3 -1,-0.2 0.909 107.7 55.0 -53.1 -41.6 37.0 2.6 7.8 662 274 B N H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 109.0 45.2 -60.4 -43.7 39.6 5.0 9.2 663 275 B Q H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.897 113.9 49.0 -68.1 -42.2 42.1 2.1 9.9 664 276 B M H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.900 111.4 50.6 -63.7 -39.0 41.5 0.5 6.5 665 277 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.931 109.8 48.9 -66.6 -45.0 42.0 3.9 4.8 666 278 B V H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.949 112.7 48.9 -60.4 -44.9 45.3 4.6 6.6 667 279 B H H X S+ 0 0 30 -4,-2.4 4,-1.0 1,-0.2 3,-0.3 0.927 111.0 49.5 -60.1 -47.0 46.5 1.1 5.6 668 280 B E H < S+ 0 0 28 -4,-2.7 4,-0.4 1,-0.2 3,-0.4 0.886 111.0 49.9 -58.8 -41.1 45.5 1.5 2.0 669 281 B L H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.7 40.1 -70.4 -26.4 47.2 4.9 1.8 670 282 B L H < S+ 0 0 2 -4,-1.6 4,-0.4 -3,-0.3 -1,-0.2 0.462 85.0 94.4-103.5 -2.7 50.5 3.7 3.3 671 283 B K S < S+ 0 0 106 -4,-1.0 2,-0.4 -3,-0.4 -1,-0.1 0.835 97.6 28.1 -55.9 -35.2 50.7 0.2 1.6 672 284 B E S S+ 0 0 165 -4,-0.4 -1,-0.2 -3,-0.2 0, 0.0 -0.992 122.8 12.6-133.9 140.6 52.9 1.9 -1.1 673 285 B G S > S+ 0 0 37 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 0.712 70.1 139.6 74.1 23.7 55.2 4.9 -1.2 674 286 B F H > S+ 0 0 24 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.941 72.7 48.8 -63.9 -47.7 55.4 5.3 2.6 675 287 B S H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 113.0 48.4 -58.8 -41.4 59.2 6.0 2.6 676 288 B E H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 110.1 51.8 -66.4 -41.4 58.7 8.6 -0.2 677 289 B R H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 110.5 48.6 -61.0 -42.8 55.8 10.2 1.7 678 290 B L H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.873 107.1 54.7 -66.5 -35.9 58.0 10.5 4.8 679 291 B E H X S+ 0 0 111 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.891 110.1 48.1 -63.4 -38.9 60.8 12.0 2.8 680 292 B R H X S+ 0 0 101 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.904 107.0 55.2 -68.3 -42.5 58.4 14.6 1.6 681 293 B V H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.936 110.0 46.8 -55.1 -47.6 57.1 15.3 5.1 682 294 B R H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.918 111.0 51.4 -63.0 -41.5 60.6 16.0 6.3 683 295 B R H X S+ 0 0 117 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.954 111.9 47.3 -59.0 -51.0 61.4 18.3 3.3 684 296 B V H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 114.8 43.4 -60.6 -46.7 58.2 20.4 3.9 685 297 B Y H X S+ 0 0 2 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.871 110.6 55.6 -70.7 -32.1 58.7 20.9 7.6 686 298 B R H X S+ 0 0 99 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.935 111.3 45.7 -62.7 -42.6 62.4 21.6 7.2 687 299 B E H X S+ 0 0 71 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.867 113.1 48.0 -68.8 -38.5 61.4 24.4 4.7 688 300 B K H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.879 110.3 52.8 -70.6 -35.5 58.6 25.8 6.9 689 301 B A H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.945 110.9 47.6 -62.9 -44.3 61.0 25.8 9.9 690 302 B Q H X S+ 0 0 121 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.911 110.4 51.2 -62.2 -43.9 63.5 27.7 7.9 691 303 B A H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.917 111.3 49.2 -60.2 -42.5 60.9 30.2 6.8 692 304 B M H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.921 112.2 45.1 -63.4 -46.3 59.8 30.7 10.3 693 305 B L H X S+ 0 0 8 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.907 110.5 55.0 -64.5 -41.5 63.2 31.3 11.8 694 306 B H H X S+ 0 0 113 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.935 113.0 43.4 -55.9 -47.1 64.1 33.7 8.9 695 307 B A H >X S+ 0 0 9 -4,-2.1 4,-2.5 -5,-0.2 3,-0.6 0.936 114.0 48.4 -66.3 -48.2 61.0 35.7 9.7 696 308 B L H 3X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.921 107.0 57.2 -59.4 -42.2 61.6 35.7 13.5 697 309 B D H 3< S+ 0 0 39 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 114.1 39.9 -58.1 -31.9 65.2 36.7 13.0 698 310 B R H << S+ 0 0 133 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.828 126.2 31.0 -86.8 -34.5 64.0 39.8 11.1 699 311 B E H < S+ 0 0 64 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.743 95.9 87.0 -99.3 -26.1 61.0 40.7 13.3 700 312 B V S < S- 0 0 5 -4,-2.9 75,-0.1 -5,-0.3 72,-0.0 -0.644 75.3-123.8 -85.4 126.9 61.7 39.7 16.8 701 313 B P > - 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0 0 52 -2,-0.2 4,-2.5 1,-0.2 29,-0.2 -0.746 19.3-167.5 -92.8 118.6 53.0 37.9 30.2 725 337 B A H > S+ 0 0 2 27,-2.7 4,-2.7 -2,-0.6 -1,-0.2 0.865 97.8 56.7 -65.8 -33.6 52.6 35.4 27.3 726 338 B E H > S+ 0 0 101 26,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.911 107.0 46.9 -62.1 -44.1 48.9 35.7 28.1 727 339 B G H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.928 111.8 50.4 -63.5 -45.3 49.0 39.4 27.6 728 340 B L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.917 107.4 54.9 -58.8 -42.0 51.0 39.1 24.4 729 341 B F H X S+ 0 0 47 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.928 105.1 52.9 -57.4 -45.0 48.4 36.6 23.2 730 342 B R H X S+ 0 0 154 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.924 113.6 42.8 -55.9 -46.6 45.7 39.2 23.8 731 343 B R H X S+ 0 0 84 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.866 110.9 56.0 -67.9 -38.1 47.6 41.7 21.7 732 344 B A H ><>S+ 0 0 0 -4,-3.2 5,-1.6 1,-0.2 3,-0.6 0.922 104.0 52.8 -61.8 -43.6 48.4 39.1 19.1 733 345 B L H ><5S+ 0 0 36 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.880 105.5 55.2 -60.0 -35.3 44.7 38.3 18.6 734 346 B E H 3<5S+ 0 0 147 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.827 109.6 46.9 -64.6 -31.3 44.2 42.1 18.0 735 347 B E T <<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.288 122.0-112.1 -92.2 9.3 46.8 41.8 15.3 736 348 B N T < 5S+ 0 0 75 -3,-1.5 -313,-2.3 1,-0.2 2,-0.3 0.903 80.2 110.4 61.3 47.9 45.1 38.7 13.9 737 349 B V E < -n 423 0G 0 -5,-1.6 2,-0.3 -315,-0.2 -1,-0.2 -0.982 47.4-158.1-143.9 147.8 47.7 36.1 14.7 738 350 B A E +n 424 0G 11 -315,-2.2 -313,-2.4 -2,-0.3 2,-0.3 -0.938 17.1 159.7-131.6 156.0 47.5 33.3 17.3 739 351 B F - 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