==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-11 3UXN . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.L.GRIDLEY,S.FIRBANK,J.JAEGER . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.6 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 0.2 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 . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 5 1 0 3 3 3 1 1 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 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 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 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 10 A T 0 0 161 0, 0.0 4,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 137.5 25.0 31.0 22.7 2 11 A L - 0 0 72 36,-0.1 3,-0.3 2,-0.1 41,-0.1 0.991 360.0 -1.8 -65.3 -79.8 25.2 31.7 26.5 3 12 A N S > S+ 0 0 16 34,-0.2 2,-4.8 1,-0.2 3,-0.5 0.981 83.1 125.6 -83.7 -77.2 24.7 28.3 28.1 4 13 A G T 3> S+ 0 0 9 1,-0.3 4,-2.8 2,-0.1 5,-0.3 -0.042 71.3 62.9 60.0 -58.6 24.1 25.8 25.4 5 14 A G H 3> S+ 0 0 31 -2,-4.8 4,-1.3 -3,-0.3 -1,-0.3 0.906 107.1 48.5 -59.4 -40.5 26.8 23.5 26.6 6 15 A I H <> S+ 0 0 4 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.903 112.7 45.5 -66.3 -43.2 24.7 23.2 29.7 7 16 A T H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.878 111.8 49.7 -75.5 -35.1 21.4 22.6 27.8 8 17 A D H X S+ 0 0 111 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.796 110.5 54.9 -66.9 -28.2 22.9 20.0 25.4 9 18 A M H X S+ 0 0 9 -4,-1.3 4,-1.2 -5,-0.3 -2,-0.2 0.896 113.0 40.2 -67.7 -39.5 24.2 18.4 28.6 10 19 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.836 112.4 54.3 -81.8 -31.9 20.8 18.3 30.0 11 20 A V H X S+ 0 0 69 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.981 110.2 46.0 -66.2 -54.2 19.0 17.2 26.9 12 21 A E H X S+ 0 0 61 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.853 112.4 52.8 -54.2 -36.9 21.2 14.2 26.4 13 22 A L H X S+ 0 0 4 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.913 109.6 48.0 -66.2 -41.1 20.8 13.4 30.0 14 23 A A H < S+ 0 0 2 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.978 110.6 51.1 -61.8 -54.7 17.0 13.5 29.7 15 24 A N H >X S+ 0 0 70 -4,-2.8 3,-1.7 1,-0.2 4,-1.5 0.919 111.2 47.6 -46.2 -55.6 17.0 11.3 26.6 16 25 A F H 3X>S+ 0 0 49 -4,-2.2 5,-1.5 1,-0.3 4,-1.4 0.912 104.9 60.5 -51.2 -46.8 19.2 8.6 28.2 17 26 A E H 3<5S+ 0 0 36 -4,-1.9 6,-1.1 1,-0.2 10,-0.3 0.426 113.6 36.1 -69.2 3.6 17.0 8.6 31.4 18 27 A K H <45S+ 0 0 72 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.552 120.7 42.1-127.6 -21.8 14.0 7.6 29.3 19 28 A N H <5S+ 0 0 96 -4,-1.5 -2,-0.2 -3,-0.5 -3,-0.1 0.317 134.9 15.6-113.3 4.0 15.4 5.2 26.7 20 29 A V T <5S+ 0 0 83 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.409 136.0 37.0-135.5 -55.5 17.8 3.3 29.0 21 30 A S S > + 0 0 38 -6,-1.1 3,-1.6 1,-0.2 4,-1.3 -0.600 27.1 173.0 -87.3 73.3 12.4 6.8 34.6 24 33 A I H 3> S+ 0 0 76 -2,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.667 71.2 70.0 -57.6 -15.4 10.2 9.1 32.5 25 34 A H H 3> S+ 0 0 153 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.869 103.7 37.1 -72.8 -39.4 9.8 11.0 35.7 26 35 A K H <> S+ 0 0 81 -3,-1.6 4,-2.0 -9,-0.2 -2,-0.2 0.595 112.3 59.7 -91.1 -13.2 13.3 12.3 35.8 27 36 A Y H X S+ 0 0 32 -4,-1.3 4,-2.2 -10,-0.3 -2,-0.2 0.925 105.1 49.5 -66.3 -53.1 13.3 12.7 32.0 28 37 A N H X S+ 0 0 92 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.805 110.9 54.5 -49.9 -32.3 10.4 15.0 32.5 29 38 A A H >X S+ 0 0 34 -4,-0.5 4,-2.3 2,-0.2 3,-0.6 0.987 106.3 44.5 -69.3 -61.7 12.7 16.7 35.1 30 39 A Y H 3X S+ 0 0 17 -4,-2.0 4,-2.7 1,-0.3 5,-0.2 0.854 108.5 61.2 -52.3 -38.6 15.8 17.4 33.0 31 40 A R H 3X S+ 0 0 150 -4,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.944 107.0 44.5 -50.8 -50.3 13.4 18.7 30.3 32 41 A K H X S+ 0 0 20 -4,-1.9 4,-2.3 1,-0.2 3,-1.0 0.961 108.3 50.8 -56.8 -59.7 14.3 27.2 31.9 37 46 A I H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.3 52.7 -47.5 -38.3 18.1 27.7 31.4 38 47 A A H 3< S+ 0 0 71 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.839 109.5 48.6 -68.8 -35.4 17.3 28.5 27.8 39 48 A K H << S+ 0 0 156 -4,-1.7 -2,-0.2 -3,-1.0 -1,-0.2 0.975 88.7 96.1 -62.2 -61.0 14.8 31.1 28.8 40 49 A Y S < S- 0 0 65 -4,-2.3 4,-0.1 1,-0.1 13,-0.0 -0.045 70.6-145.7 -34.5 122.2 17.2 32.8 31.3 41 50 A P + 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.361 68.1 71.4 -83.6 1.3 18.8 35.8 29.5 42 51 A H S S- 0 0 120 -40,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.908 87.0 -99.3-124.2 151.1 22.3 35.8 31.1 43 52 A K - 0 0 124 -2,-0.3 2,-0.3 1,-0.1 -41,-0.0 -0.466 40.4-120.0 -68.5 121.8 25.3 33.5 30.8 44 53 A I + 0 0 8 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.462 33.3 177.0 -63.8 121.5 25.5 31.0 33.7 45 54 A K + 0 0 168 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.783 65.6 6.1 -94.4 -35.8 28.8 31.7 35.5 46 55 A S S > S- 0 0 54 23,-0.0 4,-0.6 22,-0.0 -1,-0.3 -0.913 71.8-110.1-146.7 167.3 28.3 29.1 38.3 47 56 A G T 4 S+ 0 0 4 -2,-0.3 18,-0.1 1,-0.2 17,-0.1 0.287 109.2 61.0 -88.5 10.2 25.9 26.4 39.5 48 57 A A T > S+ 0 0 51 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.781 107.4 41.5 -99.8 -41.4 24.5 28.4 42.5 49 58 A E T 4 S+ 0 0 54 1,-0.2 -2,-0.2 2,-0.2 -1,-0.0 0.721 117.9 53.0 -68.7 -22.4 23.1 31.2 40.4 50 59 A A T < S+ 0 0 0 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.583 104.3 53.1 -87.9 -17.1 22.1 28.3 38.3 51 60 A K T 4 S+ 0 0 98 1,-0.2 2,-2.5 -3,-0.2 5,-0.3 0.805 91.8 77.0 -82.2 -34.2 20.4 26.6 41.2 52 61 A K S < S+ 0 0 172 -4,-1.7 -1,-0.2 2,-0.1 5,-0.1 -0.284 76.2 104.9 -74.2 54.5 18.4 29.7 41.9 53 62 A L S > S- 0 0 30 -2,-2.5 2,-2.4 3,-0.3 3,-1.8 -0.995 82.8-104.1-142.3 142.7 15.9 29.0 39.1 54 63 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.354 111.8 22.9 -72.8 70.0 12.3 27.7 39.1 55 64 A G T 3 S+ 0 0 35 -2,-2.4 2,-0.5 -4,-0.3 -19,-0.1 0.369 91.5 108.0 149.2 18.4 12.9 24.0 38.0 56 65 A V < - 0 0 9 -3,-1.8 -3,-0.3 -5,-0.3 5,-0.1 -0.776 51.7-159.0-123.9 86.0 16.5 23.3 38.9 57 66 A G >> - 0 0 40 -2,-0.5 4,-2.0 1,-0.1 3,-0.8 -0.181 33.8-105.8 -59.1 155.5 16.9 21.0 41.8 58 67 A T H 3> S+ 0 0 98 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.617 117.9 65.3 -65.6 -14.6 20.2 21.0 43.7 59 68 A K H >> S+ 0 0 75 2,-0.2 4,-0.6 1,-0.1 3,-0.5 0.945 110.0 38.4 -66.1 -48.2 21.3 17.7 42.2 60 69 A I H X> S+ 0 0 4 -3,-0.8 4,-2.5 1,-0.2 3,-0.9 0.864 110.2 59.4 -67.6 -39.4 21.3 19.4 38.8 61 70 A A H 3X S+ 0 0 5 -4,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.706 103.2 55.8 -61.2 -19.7 22.8 22.6 40.4 62 71 A E H << S+ 0 0 128 -4,-0.6 -1,-0.3 -3,-0.5 4,-0.2 0.705 108.1 46.7 -84.7 -26.4 25.6 20.3 41.4 63 72 A K H XX S+ 0 0 34 -3,-0.9 4,-2.6 -4,-0.6 3,-1.0 0.925 107.9 53.8 -79.5 -51.6 26.2 19.2 37.8 64 73 A I H 3X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.3 5,-0.2 0.922 106.3 49.9 -52.1 -54.4 26.2 22.6 36.2 65 74 A D H 3< S+ 0 0 70 -4,-1.0 4,-0.5 1,-0.2 -1,-0.3 0.757 114.6 50.9 -59.9 -20.5 28.9 24.2 38.4 66 75 A E H X>>S+ 0 0 27 -3,-1.0 4,-2.9 -4,-0.2 3,-1.8 0.962 106.9 47.3 -76.0 -62.6 30.8 21.1 37.5 67 76 A F H 3X5S+ 0 0 48 -4,-2.6 4,-0.9 1,-0.3 -2,-0.2 0.776 111.3 56.5 -49.6 -28.2 30.5 21.1 33.7 68 77 A L H 3<5S+ 0 0 56 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.809 114.4 37.9 -73.5 -28.3 31.5 24.8 34.1 69 78 A A H <45S+ 0 0 83 -3,-1.8 -2,-0.2 -4,-0.5 -3,-0.1 0.897 129.0 26.9 -91.7 -45.7 34.7 23.8 35.9 70 79 A T H <5S- 0 0 85 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.1 0.686 94.5-127.4 -90.7 -21.1 35.8 20.6 34.1 71 80 A G S <> - 0 0 7 -2,-0.3 4,-1.6 -3,-0.1 3,-0.9 -0.964 5.9-153.0-140.6 119.9 30.6 15.5 33.1 74 83 A R H 3> S+ 0 0 148 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.828 97.8 58.9 -61.5 -35.3 31.7 12.1 34.4 75 84 A K H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.822 107.5 48.1 -63.9 -29.2 28.1 10.7 34.5 76 85 A L H X> S+ 0 0 6 -3,-0.9 4,-3.4 2,-0.2 3,-0.6 0.848 110.8 50.7 -78.0 -34.7 27.9 11.5 30.8 77 86 A E H 3X S+ 0 0 63 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.902 110.4 48.1 -64.7 -45.4 31.2 9.7 30.1 78 87 A K H 3< S+ 0 0 108 -4,-2.6 -1,-0.2 2,-0.2 4,-0.2 0.343 118.3 44.3 -80.2 5.0 30.2 6.6 32.0 79 88 A I H <> S+ 0 0 22 -3,-0.6 4,-1.0 -5,-0.2 -2,-0.2 0.736 110.0 48.7-110.0 -51.6 26.9 6.7 30.1 80 89 A R H < S+ 0 0 95 -4,-3.4 3,-0.4 1,-0.2 -2,-0.2 0.900 115.4 51.1 -53.4 -40.5 28.1 7.4 26.5 81 90 A Q T < S+ 0 0 135 -4,-1.8 -1,-0.2 -5,-0.3 -3,-0.2 0.962 109.2 43.7 -62.9 -59.4 30.6 4.7 27.0 82 91 A D T 4 S+ 0 0 95 -4,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.543 78.3 146.3 -71.6 -5.2 28.4 1.8 28.3 83 92 A D X - 0 0 59 -4,-1.0 4,-1.6 -3,-0.4 -3,-0.1 -0.061 53.8-137.3 -36.5 111.9 25.9 2.7 25.6 84 93 A T H > S+ 0 0 91 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.855 104.7 51.2 -44.9 -37.3 24.5 -0.8 24.8 85 94 A S H >> S+ 0 0 53 1,-0.2 4,-1.3 2,-0.2 3,-1.0 0.988 103.2 51.9 -58.6 -82.3 24.7 0.5 21.2 86 95 A S H 34 S+ 0 0 62 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.605 107.2 56.2 -33.5 -27.7 28.3 1.8 21.1 87 96 A S H >X S+ 0 0 11 -4,-1.6 3,-2.5 2,-0.2 4,-2.3 0.971 105.6 48.2 -73.5 -55.9 29.6 -1.6 22.4 88 97 A I H S+ 0 0 72 -3,-2.5 3,-3.6 -5,-0.3 4,-0.5 0.805 106.5 50.5 -99.1 -58.3 32.9 -1.9 18.6 91 100 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 6,-0.2 0.782 101.4 69.2 -45.2 -29.8 32.9 -5.7 18.9 92 101 A T T 3< S+ 0 0 50 -4,-2.0 -1,-0.3 -5,-0.3 4,-0.1 0.481 82.6 71.0 -73.7 -2.9 31.9 -5.5 15.2 93 102 A R T <4 S+ 0 0 150 -3,-3.6 2,-0.4 2,-0.1 -1,-0.2 0.865 80.6 87.3 -73.3 -39.3 35.4 -4.2 14.4 94 103 A V S X< S- 0 0 2 -3,-0.9 3,-2.3 -4,-0.5 37,-0.1 -0.477 93.1-117.8 -62.5 116.4 36.7 -7.7 15.2 95 104 A T T 3 S+ 0 0 28 -2,-0.4 35,-0.3 35,-0.3 -1,-0.1 -0.371 101.7 33.7 -60.5 130.2 36.6 -9.7 12.0 96 105 A G T 3 S+ 0 0 26 -4,-0.1 2,-0.6 34,-0.1 31,-0.3 0.267 95.5 98.6 104.3 -9.8 34.2 -12.5 12.6 97 106 A I < + 0 0 7 -3,-2.3 -3,-0.1 -6,-0.2 -1,-0.1 -0.838 46.9 172.1-117.5 101.9 31.9 -10.7 15.0 98 107 A G > - 0 0 19 -2,-0.6 4,-2.8 -3,-0.1 5,-0.2 -0.208 50.7 -79.5 -87.5-176.4 28.7 -9.3 13.5 99 108 A P H > S+ 0 0 53 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.929 124.1 53.4 -46.6 -62.1 25.6 -7.8 15.1 100 109 A S H > S+ 0 0 68 464,-2.6 4,-1.0 1,-0.2 465,-0.1 0.895 117.1 36.0 -47.4 -52.7 23.9 -11.0 16.2 101 110 A A H > S+ 0 0 23 2,-0.2 4,-2.5 463,-0.2 3,-0.3 0.902 114.0 57.4 -71.5 -38.8 27.0 -12.3 18.1 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.3 -2,-0.2 0.931 104.9 51.7 -54.9 -50.9 28.0 -8.8 19.3 103 112 A R H X S+ 0 0 161 -4,-2.9 4,-1.4 2,-0.2 -1,-0.3 0.810 110.7 50.7 -52.0 -36.4 24.6 -8.4 21.0 104 113 A K H < S+ 0 0 107 -4,-1.0 4,-0.5 -3,-0.3 -2,-0.2 0.996 113.8 40.8 -65.9 -68.1 25.2 -11.8 22.6 105 114 A L H ><>S+ 0 0 6 -4,-2.5 5,-3.0 1,-0.2 3,-0.8 0.868 116.1 53.2 -44.2 -49.1 28.6 -11.0 24.0 106 115 A V H ><5S+ 0 0 9 -4,-3.3 3,-3.4 1,-0.2 -1,-0.2 0.976 111.1 38.8 -57.9 -70.0 27.6 -7.5 25.0 107 116 A D T 3<5S+ 0 0 113 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.323 113.5 60.6 -70.9 11.2 24.5 -8.0 27.2 108 117 A E T < 5S- 0 0 158 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.142 130.4 -95.6-113.0 7.4 26.3 -11.1 28.5 109 118 A G T < 5S+ 0 0 42 -3,-3.4 2,-0.5 1,-0.2 -3,-0.2 0.327 89.1 109.9 107.4 -5.6 29.0 -8.7 29.8 110 119 A I < + 0 0 29 -5,-3.0 -2,-0.2 -6,-0.2 -1,-0.2 -0.903 22.3 128.9-111.4 125.7 31.8 -8.7 27.2 111 120 A K + 0 0 72 -2,-0.5 2,-0.2 -3,-0.1 -20,-0.2 0.432 50.0 71.2-155.3 -1.8 32.4 -5.5 25.1 112 121 A T S > S- 0 0 60 -22,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.760 84.8-101.5-122.8 167.8 36.0 -4.4 25.2 113 122 A L H > S+ 0 0 42 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.863 122.4 41.9 -55.8 -38.2 39.3 -5.6 23.7 114 123 A E H 4 S+ 0 0 104 2,-0.2 -1,-0.2 1,-0.2 -4,-0.0 0.821 106.6 58.6 -84.5 -33.2 40.4 -7.1 27.0 115 124 A D H >4 S+ 0 0 43 1,-0.2 3,-0.9 2,-0.1 -2,-0.2 0.933 112.4 44.8 -55.5 -44.8 37.1 -8.6 28.0 116 125 A L H >< S+ 0 0 3 -4,-2.1 3,-1.1 1,-0.3 2,-0.7 0.954 103.5 61.0 -62.5 -52.9 37.4 -10.5 24.7 117 126 A R T 3< S+ 0 0 79 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.183 102.9 60.2 -63.7 24.3 41.1 -11.4 25.3 118 127 A K T < S+ 0 0 118 -3,-0.9 -1,-0.3 -2,-0.7 -2,-0.1 -0.162 107.4 32.9-147.2 42.3 39.6 -13.1 28.4 119 128 A N X + 0 0 97 -3,-1.1 3,-1.3 -9,-0.0 4,-0.1 0.148 51.5 156.8 171.4 64.5 37.2 -15.8 27.0 120 129 A E G > S+ 0 0 81 1,-0.3 3,-0.5 2,-0.2 8,-0.1 0.494 70.7 76.4 -78.3 -3.9 38.2 -17.3 23.6 121 130 A D G 3 S+ 0 0 169 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.761 91.0 56.1 -74.8 -22.6 36.1 -20.3 24.4 122 131 A K G < S+ 0 0 88 -3,-1.3 2,-0.3 -6,-0.1 -1,-0.2 0.552 103.0 74.0 -81.0 -6.6 33.1 -18.1 23.5 123 132 A L S < S- 0 0 10 -3,-0.5 2,-0.1 -4,-0.1 -26,-0.0 -0.818 71.5-139.3-109.9 147.3 34.7 -17.4 20.1 124 133 A N > - 0 0 74 -2,-0.3 4,-1.2 -28,-0.1 -2,-0.0 -0.208 44.2 -86.5 -83.3-174.0 35.1 -19.6 16.9 125 134 A H H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.905 125.7 52.3 -68.2 -45.0 38.2 -19.6 14.8 126 135 A H H > S+ 0 0 29 93,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.959 112.9 45.6 -51.6 -55.5 37.3 -16.6 12.6 127 136 A Q H > S+ 0 0 22 -31,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.771 112.0 54.7 -58.8 -28.6 36.7 -14.5 15.7 128 137 A R H >X S+ 0 0 84 -4,-1.2 4,-2.4 2,-0.2 3,-0.9 0.982 110.4 40.1 -74.5 -55.3 39.9 -15.7 17.3 129 138 A I H 3X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.899 112.7 58.3 -57.6 -43.7 42.3 -14.9 14.5 130 139 A G H 3< S+ 0 0 1 -4,-2.4 -35,-0.3 -5,-0.3 -1,-0.3 0.795 109.5 45.6 -53.1 -31.4 40.5 -11.6 14.0 131 140 A L H X< S+ 0 0 5 -3,-0.9 3,-2.0 -4,-0.8 4,-0.3 0.940 107.5 54.7 -79.0 -51.5 41.2 -10.9 17.7 132 141 A K H 3< S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.3 3,-0.2 0.809 119.6 34.7 -45.7 -37.4 44.9 -11.9 17.6 133 142 A Y T 3X S+ 0 0 31 -4,-1.9 4,-3.4 -5,-0.2 5,-0.3 0.044 78.0 126.5-114.5 23.8 45.5 -9.4 14.7 134 143 A F H <> S+ 0 0 20 -3,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.930 80.1 39.8 -43.8 -59.6 43.0 -6.7 15.8 135 144 A E H >4 S+ 0 0 98 -4,-0.3 3,-0.6 1,-0.2 4,-0.5 0.867 115.2 52.8 -62.8 -41.4 45.6 -3.9 15.6 136 145 A D H >4 S+ 0 0 17 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.937 108.5 49.0 -58.2 -50.3 47.3 -5.3 12.5 137 146 A F H 3< S+ 0 0 30 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.619 104.2 65.2 -69.9 -6.2 43.9 -5.4 10.6 138 147 A E T << S+ 0 0 79 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.618 88.2 86.5 -87.8 -17.7 43.4 -1.8 11.8 139 148 A K S < S- 0 0 85 -3,-1.7 2,-0.2 -4,-0.5 -3,-0.0 -0.318 77.2-114.8 -82.4 170.0 46.3 -0.4 9.8 140 149 A R - 0 0 126 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.518 21.2-129.8 -92.5 164.7 46.5 0.8 6.3 141 150 A I E -A 179 0A 1 38,-1.8 38,-2.1 -2,-0.2 40,-0.1 -0.970 21.4-127.1-122.2 117.3 48.5 -0.9 3.5 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.319 23.8-117.2 -58.2 142.5 50.7 1.4 1.5 143 152 A R H 3> S+ 0 0 77 34,-2.7 4,-2.3 1,-0.2 5,-0.1 0.864 115.4 65.5 -44.7 -36.3 50.2 1.0 -2.3 144 153 A E H 3> S+ 0 0 142 33,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.889 102.7 40.9 -54.7 -52.0 53.8 -0.2 -2.2 145 154 A E H <> S+ 0 0 32 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.910 112.6 57.2 -67.2 -39.4 53.2 -3.3 -0.2 146 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.861 101.7 55.4 -57.5 -39.1 50.0 -3.9 -2.1 147 156 A L H X S+ 0 0 70 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.974 109.7 46.5 -60.3 -49.3 52.0 -4.0 -5.4 148 157 A Q H X S+ 0 0 76 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.846 111.5 50.8 -54.3 -39.3 54.1 -6.7 -3.9 149 158 A M H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 5,-0.3 0.874 108.3 54.8 -70.5 -32.6 51.0 -8.5 -2.7 150 159 A Q H X S+ 0 0 47 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.923 108.0 48.1 -63.1 -45.6 49.7 -8.2 -6.3 151 160 A D H X S+ 0 0 89 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.964 109.4 51.1 -63.2 -51.0 52.8 -9.8 -7.7 152 161 A I H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.962 119.3 36.3 -47.3 -65.0 52.9 -12.8 -5.3 153 162 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.928 116.7 53.5 -53.4 -51.9 49.2 -13.6 -6.0 154 163 A L H X S+ 0 0 52 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.923 115.6 36.5 -54.2 -49.7 49.3 -12.7 -9.7 155 164 A N H X S+ 0 0 100 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.792 113.5 56.6 -75.7 -30.2 52.4 -14.9 -10.7 156 165 A E H X S+ 0 0 43 -4,-2.1 4,-1.5 -5,-0.5 3,-0.3 0.934 109.3 48.0 -67.7 -41.5 51.5 -17.7 -8.4 157 166 A V H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.2 3,-0.3 0.939 109.7 49.8 -63.5 -50.6 48.1 -17.9 -10.2 158 167 A K H < S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.746 107.8 57.2 -57.9 -24.4 49.5 -17.8 -13.7 159 168 A K H < S+ 0 0 145 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.879 105.4 49.3 -78.1 -39.7 51.9 -20.6 -12.7 160 169 A L H < S- 0 0 31 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.1 0.974 138.5 -16.1 -58.0 -59.5 49.1 -23.0 -11.7 161 170 A D >< - 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