==== 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 LIGASE 22-AUG-06 2I4L . COMPND 2 MOLECULE: PROLINE-TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR T.CREPIN,A.YAREMCHUK,M.TUKALO,S.CUSACK . 1321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 982 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 270 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 0.2 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 . 112 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 3 6 1 7 4 1 0 9 0 0 0 0 3 0 0 0 4 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 3 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 . 5 3 9 9 6 6 4 2 0 3 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 8 0 0 3 0 0 0 3 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 -2 A G 0 0 55 0, 0.0 378,-0.2 0, 0.0 377,-0.1 0.000 360.0 360.0 360.0 120.2 22.0 55.3 2.3 2 -1 A S - 0 0 41 376,-0.3 379,-2.6 378,-0.1 2,-0.4 -0.219 360.0-173.8 -59.3 143.4 23.3 55.5 5.9 3 0 A H E +a 381 0A 97 377,-0.2 2,-0.4 346,-0.1 379,-0.2 -0.989 9.7 174.8-147.3 135.5 25.6 52.6 6.9 4 1 A M E -a 382 0A 37 377,-2.5 379,-3.5 -2,-0.4 2,-0.5 -0.999 25.1-143.6-143.4 142.1 27.2 51.5 10.1 5 2 A R E > -a 383 0A 42 -2,-0.4 3,-2.0 377,-0.2 379,-0.2 -0.907 26.0-134.4 -95.7 126.7 29.3 48.6 11.4 6 3 A L G > S+ 0 0 22 377,-3.3 3,-1.3 -2,-0.5 5,-0.2 0.809 106.1 59.5 -50.6 -34.0 28.2 47.9 15.0 7 4 A S G 3 S+ 0 0 72 376,-0.4 -1,-0.3 1,-0.3 377,-0.1 0.746 108.3 44.0 -67.9 -25.7 31.9 47.7 16.0 8 5 A R G < S+ 0 0 144 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.072 107.2 80.1-104.1 20.4 32.4 51.4 14.8 9 6 A F S < S- 0 0 16 -3,-1.3 2,-0.4 -5,-0.1 501,-0.0 -0.555 77.5-123.9-115.2 178.4 29.1 52.5 16.5 10 7 A F + 0 0 5 -2,-0.2 38,-0.4 23,-0.1 -3,-0.1 -0.895 46.2 145.3-130.0 102.7 28.2 53.5 20.0 11 8 A L - 0 0 24 -2,-0.4 2,-1.3 -5,-0.2 22,-0.1 -0.757 27.0-166.6-141.0 83.6 25.2 51.3 21.2 12 9 A P - 0 0 21 0, 0.0 21,-0.3 0, 0.0 2,-0.2 -0.617 10.8-161.2 -84.2 97.2 25.3 50.4 24.9 13 10 A I - 0 0 51 -2,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.521 10.3-138.9 -73.7 134.7 22.7 47.7 25.4 14 11 A L - 0 0 44 17,-2.1 -1,-0.0 -2,-0.2 19,-0.0 -0.878 4.7-156.7 -94.1 124.2 21.6 47.1 29.0 15 12 A K S S+ 0 0 180 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.844 75.8 50.2 -63.2 -35.0 21.2 43.4 30.0 16 13 A E S S- 0 0 86 1,-0.0 -2,-0.0 15,-0.0 3,-0.0 -0.727 93.9 -98.5-113.7 151.3 18.7 44.2 32.8 17 14 A N - 0 0 99 -2,-0.3 2,-0.4 1,-0.1 11,-0.1 -0.552 44.6-117.4 -66.4 124.1 15.5 46.2 33.1 18 15 A P > - 0 0 6 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.541 14.8-144.7 -67.6 123.8 16.3 49.6 34.6 19 16 A K T 3 S+ 0 0 210 -2,-0.4 -2,-0.0 1,-0.3 8,-0.0 0.715 96.4 63.2 -62.2 -25.5 14.5 49.9 38.0 20 17 A E T 3 S+ 0 0 123 6,-0.1 2,-0.5 7,-0.0 -1,-0.3 0.597 84.9 89.8 -76.5 -11.5 13.9 53.6 37.5 21 18 A A < + 0 0 7 -3,-1.9 3,-0.0 1,-0.1 128,-0.0 -0.781 48.5 177.5 -91.9 127.5 11.8 52.9 34.4 22 19 A E + 0 0 105 -2,-0.5 2,-0.3 1,-0.0 -1,-0.1 0.624 64.0 45.4 -99.9 -22.2 8.1 52.5 35.2 23 20 A I S > S- 0 0 11 1,-0.1 4,-2.2 196,-0.0 5,-0.1 -0.828 85.4-110.6-125.5 163.4 6.7 52.0 31.7 24 21 A V H > S+ 0 0 32 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.830 111.7 51.5 -65.4 -41.5 7.7 49.9 28.7 25 22 A S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.5 45.7 -64.4 -39.8 8.9 52.7 26.3 26 23 A H H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.921 114.6 48.9 -67.0 -44.7 11.1 54.2 29.0 27 24 A R H X S+ 0 0 69 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.920 115.2 43.3 -58.6 -49.2 12.5 50.8 29.8 28 25 A L H X S+ 0 0 15 -4,-2.8 4,-2.9 2,-0.2 6,-0.2 0.840 108.6 56.7 -70.8 -36.8 13.2 49.9 26.2 29 26 A M H <>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.2 6,-0.8 0.934 115.1 40.3 -61.4 -40.9 14.7 53.3 25.3 30 27 A L H ><5S+ 0 0 14 -4,-1.9 3,-1.3 4,-0.2 -2,-0.2 0.937 117.6 47.0 -69.2 -49.4 17.2 52.7 28.1 31 28 A R H 3<5S+ 0 0 51 -4,-2.7 -17,-2.1 1,-0.2 -2,-0.2 0.875 109.4 54.5 -59.4 -40.4 17.8 49.0 27.4 32 29 A A T 3<5S- 0 0 0 -4,-2.9 -1,-0.2 -19,-0.2 -19,-0.2 0.237 115.4-110.8 -83.2 13.0 18.2 49.6 23.6 33 30 A G T < 5S+ 0 0 0 -3,-1.3 15,-0.6 -21,-0.3 16,-0.4 0.859 85.6 116.4 64.6 36.5 21.0 52.2 24.0 34 31 A M < + 0 0 0 -5,-2.4 12,-1.2 -6,-0.2 2,-0.3 0.578 67.6 32.8-104.7 -18.9 18.9 55.1 22.8 35 32 A L E -F 45 0B 2 -6,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.987 48.7-172.0-148.9 144.6 18.6 57.3 25.9 36 33 A R E -F 44 0B 52 8,-2.1 8,-3.0 -2,-0.3 2,-0.4 -0.960 26.0-128.5-140.7 129.5 20.5 58.6 28.9 37 34 A Q E +F 43 0B 87 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.610 26.1 173.0 -74.3 131.5 19.2 60.7 31.8 38 35 A E E S- 0 0 20 4,-3.2 2,-0.3 1,-0.5 5,-0.2 0.717 72.9 -12.8-107.1 -35.0 21.3 63.8 32.6 39 36 A A E > S-F 42 0B 10 3,-1.9 3,-2.6 479,-0.1 -1,-0.5 -0.921 102.8 -56.7-151.3 175.3 19.0 65.4 35.1 40 37 A A T 3 S- 0 0 41 1,-0.3 109,-0.1 -2,-0.3 3,-0.1 -0.348 128.6 -1.9 -60.3 127.7 15.3 64.8 36.0 41 38 A G T 3 S+ 0 0 1 114,-0.1 115,-2.5 1,-0.1 116,-1.9 0.575 113.8 105.5 69.8 9.8 13.3 65.2 32.7 42 39 A I E < -F 39 0B 0 -3,-2.6 -4,-3.2 114,-0.2 -3,-1.9 -0.977 49.2-178.2-131.6 120.6 16.5 66.1 30.8 43 40 A Y E -F 37 0B 13 -2,-0.4 2,-0.4 114,-0.3 -6,-0.2 -0.854 29.3-137.8-125.6 146.7 18.1 63.5 28.4 44 41 A A E -F 36 0B 1 -8,-3.0 -8,-2.1 -2,-0.3 2,-0.7 -0.801 28.7-134.6 -89.5 142.3 21.0 62.9 26.1 45 42 A W E -FG 35 513B 6 468,-3.1 468,-2.2 -2,-0.4 -10,-0.2 -0.924 20.2-145.0-101.1 107.9 19.9 61.1 22.9 46 43 A L > - 0 0 1 -12,-1.2 4,-2.7 -2,-0.7 3,-0.4 -0.254 36.4 -86.8 -70.5 164.4 22.4 58.3 22.3 47 44 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.849 128.0 45.0 -47.2 -47.1 23.2 57.5 18.6 48 45 A L H > S+ 0 0 0 -15,-0.6 4,-1.4 -38,-0.4 -14,-0.2 0.902 116.4 47.9 -62.4 -42.0 20.4 55.0 17.9 49 46 A G H > S+ 0 0 0 -3,-0.4 4,-2.5 -16,-0.4 -1,-0.2 0.887 109.0 52.3 -63.3 -45.6 17.9 57.4 19.7 50 47 A H H X S+ 0 0 7 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.880 104.8 56.9 -61.2 -40.0 19.0 60.4 17.8 51 48 A R H X S+ 0 0 51 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.889 110.0 44.5 -56.5 -42.3 18.6 58.6 14.4 52 49 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.947 110.8 54.3 -67.0 -46.9 14.9 57.9 15.2 53 50 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.916 110.4 47.5 -51.9 -46.8 14.4 61.5 16.5 54 51 A K H X S+ 0 0 57 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.845 108.9 53.0 -65.2 -37.7 15.8 62.8 13.2 55 52 A K H X S+ 0 0 75 -4,-1.7 4,-1.9 291,-0.2 -2,-0.2 0.940 111.5 47.0 -62.8 -45.7 13.5 60.5 11.1 56 53 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 290,-0.2 -2,-0.2 0.944 109.8 53.4 -58.7 -49.4 10.5 61.7 13.0 57 54 A E H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.884 108.0 50.1 -52.4 -46.0 11.5 65.4 12.6 58 55 A Q H X S+ 0 0 82 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.889 107.9 51.9 -66.6 -38.6 11.8 65.0 8.8 59 56 A I H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.931 112.0 48.1 -60.0 -43.3 8.4 63.4 8.4 60 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 112.3 47.9 -62.8 -47.4 6.9 66.3 10.4 61 58 A R H X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.943 109.3 54.7 -61.7 -45.5 8.8 68.9 8.3 62 59 A E H X S+ 0 0 64 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.893 111.2 43.3 -54.2 -46.6 7.7 67.2 5.1 63 60 A E H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.859 112.3 52.5 -71.8 -35.1 4.0 67.3 5.9 64 61 A Q H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 -2,-0.2 0.909 112.3 46.5 -63.1 -45.7 4.2 70.9 7.2 65 62 A N H ><5S+ 0 0 70 -4,-2.7 3,-1.4 3,-0.2 -2,-0.2 0.886 108.8 54.7 -62.8 -41.7 5.8 72.0 3.9 66 63 A R H 3<5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.925 107.0 51.9 -56.0 -44.0 3.2 70.0 1.9 67 64 A A T 3<5S- 0 0 7 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.420 124.6-103.5 -78.0 0.1 0.5 72.0 3.7 68 65 A G T < 5S+ 0 0 50 -3,-1.4 66,-0.4 1,-0.3 -3,-0.2 0.509 70.8 144.5 95.7 5.7 2.1 75.3 2.9 69 66 A A < - 0 0 6 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.446 42.8-133.9 -78.4 153.9 3.7 76.2 6.2 70 67 A I E -h 135 0C 8 64,-2.9 66,-2.4 -2,-0.1 2,-0.3 -0.940 14.2-133.9-119.7 122.8 7.1 78.0 6.1 71 68 A E E +h 136 0C 20 -2,-0.5 2,-0.2 64,-0.2 66,-0.2 -0.581 37.0 145.1 -83.1 137.8 10.0 76.9 8.3 72 69 A L - 0 0 1 64,-2.8 66,-0.4 -2,-0.3 2,-0.3 -0.690 39.4-114.6-139.9-164.5 12.2 79.3 10.3 73 70 A L B -Q 485 0D 8 412,-2.4 412,-2.9 -2,-0.2 64,-0.1 -0.909 15.9-162.7-146.6 121.8 13.9 79.1 13.7 74 71 A M - 0 0 0 -2,-0.3 410,-0.2 410,-0.2 409,-0.0 -0.724 33.3-104.3 -93.7 148.4 13.3 81.0 16.9 75 72 A P - 0 0 4 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 -0.262 19.9-124.1 -65.1 157.2 15.9 81.1 19.7 76 73 A T S S+ 0 0 2 33,-0.1 34,-3.5 65,-0.1 2,-0.4 0.833 94.5 66.4 -69.1 -32.8 15.5 79.0 22.9 77 74 A L E -S 109 0E 2 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.751 65.4-177.8 -99.1 138.9 15.9 82.2 25.1 78 75 A Q E -S 108 0E 2 30,-2.4 30,-1.5 -2,-0.4 2,-0.3 -0.913 30.2-103.1-132.6 155.9 13.3 84.9 25.1 79 76 A L E >> -S 107 0E 53 -2,-0.3 4,-1.0 399,-0.2 3,-1.0 -0.631 17.7-140.7 -81.8 132.8 12.9 88.3 26.9 80 77 A A H >> S+ 0 0 0 26,-2.2 4,-1.4 -2,-0.3 3,-0.5 0.879 102.0 66.0 -52.3 -38.9 10.5 88.5 29.8 81 78 A D H 3> S+ 0 0 82 25,-0.4 4,-1.1 1,-0.3 -1,-0.2 0.777 95.6 56.4 -62.1 -27.4 9.4 92.0 28.5 82 79 A L H <> S+ 0 0 13 -3,-1.0 4,-0.7 1,-0.2 3,-0.3 0.915 107.9 46.9 -64.8 -44.2 8.0 90.3 25.4 83 80 A W H S+ 0 0 0 -4,-1.0 6,-2.2 -3,-0.5 5,-1.3 0.682 104.5 61.9 -69.7 -22.1 5.8 88.1 27.7 84 81 A R H <5S+ 0 0 93 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.831 96.1 60.6 -72.2 -33.9 4.8 91.2 29.6 85 82 A E H <5S+ 0 0 77 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.858 112.7 36.8 -54.0 -41.2 3.2 92.6 26.4 86 83 A S H <5S- 0 0 22 -4,-0.7 -1,-0.2 214,-0.1 -2,-0.2 0.574 108.3-124.6 -90.8 -13.5 0.8 89.6 26.3 87 84 A G T X5S+ 0 0 47 -4,-0.7 4,-0.5 -5,-0.1 -3,-0.2 0.573 83.3 112.2 76.6 9.6 0.4 89.5 30.0 88 85 A R H >< + 0 0 39 -5,-1.3 4,-2.6 1,-0.1 -4,-0.2 0.756 53.8 81.6 -81.8 -20.8 1.5 85.8 30.0 89 86 A Y H 4 S+ 0 0 8 -6,-2.2 4,-0.4 1,-0.2 -1,-0.1 0.893 104.6 26.5 -50.8 -50.8 4.7 86.6 31.9 90 87 A D H 4 S+ 0 0 124 -7,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.651 124.9 50.4 -89.7 -15.0 3.2 86.7 35.4 91 88 A A H < S+ 0 0 83 -4,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.620 87.5 81.0 -97.8 -17.3 0.2 84.4 34.6 92 89 A Y S < S- 0 0 58 -4,-2.6 3,-0.2 1,-0.1 -1,-0.1 0.882 87.7-140.2 -57.5 -43.1 2.1 81.4 33.0 93 90 A G > - 0 0 35 -4,-0.4 3,-1.6 -5,-0.2 -1,-0.1 -0.430 34.4 -46.7 106.0 179.8 3.2 79.8 36.3 94 91 A P T 3 S+ 0 0 81 0, 0.0 448,-0.2 0, 0.0 -1,-0.1 0.438 116.2 78.8 -71.0 -5.6 6.3 78.0 37.8 95 92 A E T 3 S+ 0 0 42 -3,-0.2 49,-2.7 48,-0.1 2,-0.5 0.651 74.9 94.1 -73.3 -16.5 6.8 75.8 34.7 96 93 A M S < S- 0 0 9 -3,-1.6 2,-0.9 47,-0.2 47,-0.1 -0.669 77.0-140.9 -76.3 122.3 8.4 78.8 33.1 97 94 A L E -T 109 0E 2 12,-0.6 12,-2.2 -2,-0.5 2,-0.3 -0.815 19.9-158.3 -90.1 107.1 12.1 78.7 33.6 98 95 A R E -T 108 0E 115 -2,-0.9 442,-0.4 10,-0.2 2,-0.3 -0.650 10.1-172.6 -91.3 143.8 13.2 82.3 34.3 99 96 A I E -T 107 0E 9 8,-2.7 8,-3.5 -2,-0.3 2,-0.4 -0.985 15.9-155.2-138.6 139.4 16.8 83.4 33.8 100 97 A A E -T 106 0E 62 438,-0.4 6,-0.2 -2,-0.3 438,-0.1 -0.981 18.9-147.9-112.8 131.0 18.8 86.5 34.6 101 98 A D > - 0 0 10 4,-2.0 3,-2.1 -2,-0.4 436,-0.0 -0.208 39.5 -83.8 -85.8-173.6 21.9 87.2 32.4 102 99 A R T 3 S+ 0 0 70 1,-0.3 -1,-0.1 432,-0.2 433,-0.0 0.621 131.3 53.1 -70.9 -14.7 25.0 89.0 33.6 103 100 A H T 3 S- 0 0 14 2,-0.1 -1,-0.3 980,-0.1 981,-0.1 0.213 119.2-111.2 -97.8 10.6 23.5 92.4 33.0 104 101 A K < + 0 0 86 -3,-2.1 2,-0.2 1,-0.2 -2,-0.1 0.588 65.6 153.9 67.4 15.2 20.5 91.4 35.1 105 102 A R - 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I 0 166C 9 33,-2.0 33,-2.6 -2,-0.1 2,-0.5 -0.997 16.4-174.8-131.9 128.1 0.7 82.9 6.5 134 131 A N E - I 0 165C 16 -2,-0.4 -64,-2.9 -66,-0.4 2,-0.4 -0.979 6.5-176.5-123.8 113.8 1.8 79.9 8.6 135 132 A L E +hI 70 164C 0 29,-2.5 29,-2.6 -2,-0.5 2,-0.3 -0.934 9.8 170.9-110.5 137.1 5.3 80.0 10.1 136 133 A Y E -hI 71 163C 0 -66,-2.4 -64,-2.8 -2,-0.4 2,-0.3 -0.937 15.1-170.4-139.0 158.8 6.8 77.1 12.1 137 134 A H E - I 0 162C 0 25,-2.1 25,-2.3 -2,-0.3 2,-0.5 -0.954 22.8-135.1-139.8 169.7 9.9 75.8 13.7 138 135 A I E + I 0 161C 15 -66,-0.4 2,-0.3 -2,-0.3 23,-0.3 -0.975 49.5 148.6-119.1 108.3 11.2 72.7 15.3 139 136 A Q E - I 0 160C 6 21,-2.3 21,-1.8 -2,-0.5 2,-0.2 -0.988 49.6 -96.9-148.1 153.8 13.0 73.7 18.5 140 137 A W E - I 0 159C 18 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.453 41.4-174.2 -73.3 141.1 13.9 72.7 22.0 141 138 A K E - I 0 158C 1 17,-2.8 17,-1.5 -2,-0.2 2,-0.4 -0.820 14.3-142.2-129.2 166.4 11.6 73.9 24.8 142 139 A F E + I 0 157C 0 -32,-1.1 2,-0.4 -2,-0.3 -45,-0.3 -0.993 16.9 173.4-135.2 129.2 11.6 73.8 28.5 143 140 A R - 0 0 74 13,-2.0 2,-2.2 -2,-0.4 -47,-0.2 -0.991 32.0-135.9-128.3 125.5 8.7 73.3 30.9 144 141 A D - 0 0 2 -49,-2.7 -48,-0.1 -2,-0.4 12,-0.1 -0.472 28.6-162.5 -83.0 64.9 9.7 72.9 34.5 145 142 A E - 0 0 42 -2,-2.2 -2,-0.0 10,-0.3 11,-0.0 -0.256 20.0-129.7 -41.8 125.2 7.3 70.1 35.1 146 143 A Q S S+ 0 0 98 1,-0.3 -1,-0.1 396,-0.0 -2,-0.0 0.910 97.0 19.0 -53.6 -50.4 6.9 69.7 38.9 147 144 A R S S- 0 0 136 8,-0.1 -1,-0.3 2,-0.0 -2,-0.0 -0.768 81.1-147.8-125.3 87.2 7.5 65.9 38.8 148 145 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.248 35.3 157.0 -49.4 135.4 9.4 64.7 35.7 149 146 A R B > +W 154 0G 108 5,-2.4 5,-0.9 2,-0.2 -128,-0.1 -0.970 36.3 38.7-156.5 162.4 8.2 61.1 34.9 150 147 A F T > 5S- 0 0 36 -2,-0.3 3,-1.8 3,-0.2 5,-0.1 0.749 94.1-104.5 65.9 27.1 7.8 58.5 32.2 151 148 A G G > 5S+ 0 0 0 1,-0.3 3,-1.3 3,-0.2 -2,-0.2 -0.297 98.3 3.3 61.2-132.1 11.1 59.3 30.4 152 149 A V G 3 5S+ 0 0 12 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.590 127.1 66.7 -65.4 -11.2 10.6 61.2 27.2 153 150 A M G < 5S+ 0 0 5 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.699 114.3 18.8 -90.2 -21.5 6.9 61.4 27.7 154 151 A R B < S- 0 0 79 146,-0.1 4,-2.0 145,-0.1 146,-0.1 -0.841 82.1 -79.3-155.2-178.8 -10.4 86.9 10.2 170 167 A E H > S+ 0 0 87 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 121.3 58.1 -63.4 -41.0 -12.0 83.8 11.7 171 168 A A H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.938 110.2 42.3 -53.7 -51.4 -13.1 82.4 8.3 172 169 A G H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 111.2 56.5 -63.3 -40.7 -9.5 82.4 7.0 173 170 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.878 103.7 53.4 -58.4 -40.8 -8.2 81.0 10.4 174 171 A R H X S+ 0 0 81 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.889 109.1 49.6 -61.2 -40.1 -10.6 78.0 10.1 175 172 A K H X S+ 0 0 145 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.921 111.5 47.9 -64.0 -45.3 -9.1 77.3 6.6 176 173 A S H X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.905 112.3 50.5 -59.5 -42.6 -5.6 77.6 8.1 177 174 A Y H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.875 107.5 53.1 -60.0 -45.3 -6.7 75.2 10.9 178 175 A N H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.887 103.9 56.1 -58.5 -45.0 -8.1 72.7 8.4 179 176 A K H X S+ 0 0 38 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.901 111.5 43.7 -49.1 -48.8 -4.8 72.6 6.5 180 177 A M H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.842 108.4 57.9 -68.8 -36.7 -3.1 71.6 9.8 181 178 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.966 112.0 42.1 -53.9 -53.2 -5.8 69.1 10.7 182 179 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.921 111.9 54.1 -60.4 -49.5 -5.1 67.3 7.4 183 180 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.846 108.3 50.9 -52.0 -40.1 -1.3 67.6 7.7 184 181 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.871 104.5 54.6 -70.6 -39.7 -1.5 65.9 11.2 185 182 A L H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.937 114.8 42.7 -52.6 -46.6 -3.6 63.0 10.0 186 183 A R H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.863 110.7 55.6 -71.5 -40.1 -0.9 62.4 7.4 187 184 A T H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.926 113.7 38.4 -56.7 -52.5 2.1 63.0 9.8 188 185 A F H ><>S+ 0 0 1 -4,-2.3 5,-2.2 1,-0.2 3,-0.8 0.856 113.3 55.5 -74.3 -37.5 1.0 60.4 12.4 189 186 A A H ><5S+ 0 0 41 -4,-1.9 3,-1.9 -5,-0.3 -1,-0.2 0.903 103.9 56.1 -57.4 -42.2 -0.2 57.9 9.8 190 187 A R T 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 155,-0.2 0.667 104.3 54.8 -65.3 -18.4 3.3 58.0 8.2 191 188 A M T < 5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.287 122.9-103.7 -93.3 5.7 4.8 57.1 11.6 192 189 A G T < 5S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.732 81.2 126.8 76.8 24.3 2.6 53.9 11.9 193 190 A L < - 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