==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 26-MAR-12 4ECV . COMPND 2 MOLECULE: DNA POLYMERASE ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAKAMURA,Y.ZHAO,W.YANG . 430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 1 1 1 3 1 1 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 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 . 2 2 0 2 1 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 1 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 -2 A G > 0 0 86 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-109.8 67.4 -34.0 -3.8 2 -1 A P T 3 + 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.565 360.0 45.2 -66.9 -13.1 68.6 -32.9 -7.4 3 0 A H T 3 S+ 0 0 180 2,-0.1 2,-0.6 0, 0.0 0, 0.0 0.425 83.4 110.8-112.4 -3.4 65.0 -32.4 -8.6 4 1 A M < - 0 0 135 -3,-1.1 2,-0.0 1,-0.0 0, 0.0 -0.646 65.9-134.2 -79.9 114.7 63.6 -30.5 -5.7 5 2 A A - 0 0 72 -2,-0.6 -2,-0.1 1,-0.1 299,-0.0 -0.312 16.7-168.2 -65.3 149.7 62.9 -26.9 -6.6 6 3 A T - 0 0 59 297,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.323 35.5-120.8-125.5 4.9 64.1 -24.2 -4.2 7 4 A G S S+ 0 0 6 1,-0.1 298,-0.2 297,-0.1 3,-0.1 0.903 74.9 124.6 57.7 44.7 62.4 -21.1 -5.5 8 5 A Q + 0 0 44 1,-0.1 -1,-0.1 296,-0.1 210,-0.1 0.124 34.3 102.8-119.2 21.8 65.8 -19.3 -6.0 9 6 A D S S+ 0 0 97 208,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.644 77.3 44.9 -80.6 -20.4 65.3 -18.5 -9.7 10 7 A R - 0 0 24 207,-0.4 2,-0.5 -3,-0.1 179,-0.1 -0.827 64.6-139.9-123.5 158.9 64.4 -14.8 -9.3 11 8 A V + 0 0 1 -2,-0.3 113,-2.4 177,-0.1 114,-0.8 -0.992 31.7 177.4-115.9 122.0 65.6 -11.7 -7.4 12 9 A V E -AB 123 216A 0 204,-2.8 204,-2.7 -2,-0.5 2,-0.3 -0.969 9.8-167.7-126.8 135.1 62.6 -9.6 -6.2 13 10 A A E -AB 122 215A 0 109,-2.3 109,-2.6 -2,-0.4 2,-0.4 -0.903 10.3-154.7-117.6 154.3 62.5 -6.5 -4.1 14 11 A L E -AB 121 214A 0 200,-2.0 200,-2.2 -2,-0.3 2,-0.5 -0.995 11.1-163.3-124.1 120.5 59.6 -4.7 -2.4 15 12 A V E -AB 120 213A 1 105,-2.5 105,-1.9 -2,-0.4 2,-0.4 -0.926 8.7-177.5-106.9 126.3 60.1 -1.0 -1.8 16 13 A D E -AB 119 212A 24 196,-2.5 196,-2.7 -2,-0.5 103,-0.2 -0.983 24.4-126.5-127.0 119.7 57.9 0.7 0.8 17 14 A M E > - B 0 211A 5 101,-2.5 3,-0.5 -2,-0.4 2,-0.3 -0.344 30.7-112.5 -64.3 142.6 57.9 4.4 1.5 18 15 A D T 3 S- 0 0 4 192,-2.1 5,-0.4 1,-0.2 192,-0.2 -0.614 85.5 -25.2 -76.9 137.3 58.4 5.3 5.2 19 16 A C T >> S- 0 0 19 -2,-0.3 4,-2.2 34,-0.1 3,-0.5 0.777 86.6-166.3 24.3 64.2 55.3 7.0 6.8 20 17 A F H <> S+ 0 0 9 -3,-0.5 4,-2.1 1,-0.3 5,-0.2 0.826 72.7 42.7 -54.6 -55.7 54.4 8.1 3.3 21 18 A F H 3> S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.856 114.4 54.7 -63.8 -33.4 51.7 10.8 3.7 22 19 A V H <> S+ 0 0 2 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.931 107.3 49.4 -63.1 -45.3 53.7 12.3 6.6 23 20 A Q H X S+ 0 0 21 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.884 107.7 54.2 -62.9 -36.7 56.8 12.6 4.5 24 21 A V H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.941 113.2 42.9 -58.8 -44.7 54.8 14.3 1.7 25 22 A E H X S+ 0 0 14 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.861 112.6 53.0 -72.4 -34.1 53.6 16.8 4.3 26 23 A Q H < S+ 0 0 24 -4,-2.8 7,-0.3 2,-0.2 6,-0.2 0.845 106.4 52.9 -70.2 -33.6 57.1 17.2 5.8 27 24 A R H < S+ 0 0 86 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.950 114.0 43.1 -60.5 -45.1 58.6 17.9 2.5 28 25 A Q H < S+ 0 0 123 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 123.3 36.3 -69.2 -39.3 56.1 20.7 1.9 29 26 A N >< - 0 0 60 -4,-2.3 3,-2.4 1,-0.1 4,-0.3 -0.870 64.8-168.4-124.0 94.2 56.3 22.2 5.4 30 27 A P G > S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.735 82.5 74.2 -57.0 -22.7 59.8 22.1 6.9 31 28 A H G 3 S+ 0 0 151 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.700 95.4 52.6 -60.3 -21.1 58.3 23.0 10.3 32 29 A L G X S+ 0 0 15 -3,-2.4 3,-1.0 -6,-0.2 -1,-0.3 0.548 83.2 115.1 -92.1 -9.9 57.0 19.4 10.5 33 30 A R T < S+ 0 0 113 -3,-1.4 -10,-0.0 -4,-0.3 -6,-0.0 -0.364 84.5 4.1 -69.1 138.5 60.4 17.7 9.8 34 31 A N T 3 S+ 0 0 135 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.834 107.9 113.8 59.9 36.2 61.9 15.6 12.5 35 32 A K S < S- 0 0 91 -3,-1.0 2,-0.6 44,-0.0 22,-0.3 -0.908 81.2 -95.0-129.4 156.5 58.9 16.1 14.8 36 33 A P + 0 0 23 0, 0.0 43,-2.6 0, 0.0 2,-0.3 -0.664 68.9 147.2 -65.7 118.8 56.2 13.8 16.2 37 34 A C E -g 79 0B 4 -2,-0.6 17,-3.1 41,-0.2 2,-0.3 -0.973 29.9-167.4-157.7 162.5 53.5 14.4 13.6 38 35 A A E -gH 80 53B 2 41,-1.9 43,-2.0 -2,-0.3 2,-0.4 -0.977 23.4-119.4-148.4 157.7 50.6 12.7 11.9 39 36 A V E -gH 81 52B 1 13,-2.3 12,-3.0 -2,-0.3 13,-1.3 -0.905 33.9-174.0-105.1 135.7 48.3 13.2 9.0 40 37 A V E -gH 82 50B 0 41,-2.3 43,-2.6 -2,-0.4 2,-0.4 -0.894 17.8-141.6-128.4 152.0 44.6 13.4 9.7 41 38 A Q E S- H 0 49B 62 8,-2.0 8,-2.2 -2,-0.3 43,-0.1 -0.979 70.8 -5.2-119.5 136.6 41.4 13.6 7.7 42 39 A Y - 0 0 76 -2,-0.4 41,-0.1 41,-0.3 47,-0.0 -0.035 60.0-150.4 67.3 178.7 38.4 15.7 8.7 43 40 A K S > S+ 0 0 80 5,-0.1 4,-1.2 39,-0.1 5,-0.2 0.462 72.3 78.6-152.6 -34.7 38.6 17.6 12.1 44 41 A S T 4 S+ 0 0 130 3,-0.2 2,-1.0 2,-0.2 3,-0.2 0.896 84.9 65.8 -59.3 -46.2 35.1 18.1 13.6 45 42 A W T >4 S- 0 0 175 1,-0.2 3,-1.8 2,-0.1 -1,-0.1 -0.711 133.7 -35.2 -88.0 103.2 34.7 14.5 15.0 46 43 A K T 34 S- 0 0 95 -2,-1.0 23,-2.6 1,-0.3 24,-0.4 0.734 114.7 -58.1 60.1 28.3 37.3 14.0 17.7 47 44 A G T 3< S- 0 0 4 -4,-1.2 -1,-0.3 21,-0.2 -3,-0.2 0.398 100.0 -68.5 87.8 -0.5 40.0 16.1 16.0 48 45 A G < - 0 0 1 -3,-1.8 20,-3.1 -5,-0.2 2,-0.5 -0.075 60.3 -75.2 100.1 158.9 40.0 14.0 12.8 49 46 A G E -HI 41 67B 14 -8,-2.2 -8,-2.0 18,-0.2 2,-0.3 -0.772 42.4-127.4 -96.8 131.2 41.1 10.4 12.1 50 47 A I E +H 40 0B 2 16,-2.8 15,-2.8 -2,-0.5 -10,-0.3 -0.579 31.6 168.3 -79.6 131.8 44.8 9.7 11.8 51 48 A I E + 0 0 33 -12,-3.0 2,-0.3 1,-0.3 -11,-0.2 0.530 67.0 24.4-117.0 -12.7 45.9 7.9 8.7 52 49 A A E -H 39 0B 2 -13,-1.3 -13,-2.3 11,-0.1 2,-0.4 -0.985 62.6-164.5-154.0 147.9 49.7 8.3 8.9 53 50 A V E -H 38 0B 5 -2,-0.3 -15,-0.2 -15,-0.2 -34,-0.1 -0.994 19.4-125.3-142.0 128.4 52.2 8.7 11.8 54 51 A S > - 0 0 1 -17,-3.1 4,-2.1 -2,-0.4 3,-0.3 -0.263 30.8-114.0 -69.0 158.1 55.9 9.8 11.9 55 52 A Y H > S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.864 117.3 57.8 -65.1 -31.4 58.3 7.5 13.7 56 53 A E H 4 S+ 0 0 78 -21,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.892 108.8 45.9 -61.4 -40.8 58.9 10.1 16.4 57 54 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.6 -3,-0.3 3,-1.6 0.835 103.7 62.2 -71.3 -33.0 55.1 10.1 17.1 58 55 A R H ><5S+ 0 0 94 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.833 91.7 67.6 -62.5 -28.9 55.0 6.3 17.1 59 56 A A T 3<5S+ 0 0 90 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.730 99.7 49.9 -62.2 -22.7 57.4 6.3 20.1 60 57 A F T < 5S- 0 0 109 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.461 127.6 -99.7 -90.8 -5.8 54.6 7.9 22.1 61 58 A G T < 5 + 0 0 35 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.2 0.538 68.8 153.7 98.0 9.0 52.1 5.2 21.0 62 59 A V < + 0 0 2 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.536 18.9 176.2 -72.3 134.6 50.3 7.1 18.3 63 60 A T > - 0 0 69 -2,-0.2 3,-1.2 -11,-0.1 -13,-0.2 -0.916 35.8 -86.1-133.2 162.2 48.8 4.8 15.6 64 61 A R T 3 S+ 0 0 149 -2,-0.3 -13,-0.2 1,-0.2 3,-0.1 -0.316 111.4 34.0 -57.4 150.5 46.7 4.9 12.5 65 62 A S T 3 S+ 0 0 99 -15,-2.8 -1,-0.2 1,-0.3 2,-0.2 0.200 89.1 125.9 84.4 -13.2 43.0 4.8 13.1 66 63 A M < - 0 0 41 -3,-1.2 -16,-2.8 -16,-0.1 -1,-0.3 -0.502 67.5-115.4 -71.9 142.6 43.4 6.8 16.3 67 64 A W B >> -I 49 0B 89 -18,-0.2 4,-2.5 -2,-0.2 3,-0.6 -0.609 23.6-125.3 -70.3 139.8 41.3 10.0 16.7 68 65 A A H 3> S+ 0 0 1 -20,-3.1 4,-2.3 -2,-0.3 -21,-0.2 0.863 110.3 58.3 -56.9 -37.1 43.6 13.0 16.9 69 66 A D H 3> S+ 0 0 86 -23,-2.6 4,-0.5 -21,-0.2 -1,-0.3 0.879 110.6 44.1 -60.5 -36.1 42.1 14.1 20.2 70 67 A D H X> S+ 0 0 56 -3,-0.6 4,-1.0 -24,-0.4 3,-0.9 0.894 109.6 54.2 -77.0 -40.1 43.1 10.7 21.6 71 68 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.869 102.9 59.2 -56.6 -38.1 46.5 10.8 20.0 72 69 A K H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.737 97.1 60.4 -63.6 -24.8 47.1 14.2 21.7 73 70 A K H << S+ 0 0 153 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.866 112.9 37.2 -71.7 -33.7 46.5 12.5 25.1 74 71 A L H < S+ 0 0 81 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.791 134.7 23.1 -82.9 -31.2 49.5 10.3 24.4 75 72 A C >< - 0 0 1 -4,-2.1 3,-2.2 -5,-0.2 -1,-0.3 -0.744 64.7-177.8-141.6 83.2 51.6 12.9 22.7 76 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.768 85.8 52.0 -59.4 -27.3 50.5 16.5 23.7 77 74 A D T 3 S+ 0 0 130 2,-0.0 -5,-0.1 -40,-0.0 2,-0.0 0.257 78.2 140.2 -94.1 12.2 53.1 18.1 21.3 78 75 A L < - 0 0 2 -3,-2.2 2,-0.3 -7,-0.1 -41,-0.2 -0.316 43.5-144.3 -55.6 128.9 51.9 16.0 18.3 79 76 A L E -g 37 0B 64 -43,-2.6 -41,-1.9 -47,-0.1 2,-0.4 -0.728 15.8-155.2 -95.3 150.0 51.8 18.1 15.1 80 77 A L E -g 38 0B 48 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.961 15.6-167.1-130.0 141.3 49.1 17.5 12.5 81 78 A A E -g 39 0B 12 -43,-2.0 -41,-2.3 -2,-0.4 2,-0.4 -0.994 23.1-136.9-121.6 137.5 48.7 18.1 8.8 82 79 A Q E -g 40 0B 99 -2,-0.4 -41,-0.2 -43,-0.2 2,-0.1 -0.754 15.1-116.9 -98.7 136.9 45.2 17.8 7.3 83 80 A V - 0 0 3 -43,-2.6 -41,-0.3 -2,-0.4 9,-0.1 -0.430 45.6 -99.1 -60.9 138.5 44.2 16.0 4.1 84 81 A R - 0 0 158 7,-0.5 7,-2.8 -2,-0.1 2,-0.5 -0.282 33.4-145.1 -58.5 143.6 42.9 18.5 1.6 85 82 A E E +J 90 0C 95 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.980 22.9 169.5-114.8 128.2 39.1 18.7 1.3 86 83 A S E > +J 89 0C 24 3,-2.5 3,-1.8 -2,-0.5 260,-0.1 -0.996 68.4 1.4-134.8 140.6 37.4 19.4 -2.0 87 84 A R T 3 S- 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 259,-0.1 0.822 131.9 -56.2 52.5 35.9 33.7 19.2 -2.9 88 85 A G T 3 S+ 0 0 36 1,-0.2 2,-0.3 254,-0.0 -1,-0.3 0.519 120.3 85.4 82.3 6.1 33.0 18.2 0.7 89 86 A K E < S-J 86 0C 12 -3,-1.8 -3,-2.5 253,-0.1 -1,-0.2 -0.925 86.6 -85.0-138.9 161.6 35.3 15.2 0.9 90 87 A A E -J 85 0C 12 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.397 41.0-155.7 -62.9 139.2 38.9 14.2 1.5 91 88 A N - 0 0 6 -7,-2.8 -7,-0.5 1,-0.1 3,-0.4 -0.973 12.9-171.3-125.6 117.2 41.0 14.6 -1.7 92 89 A L >> + 0 0 45 -2,-0.5 4,-2.0 1,-0.2 3,-0.9 0.263 48.5 117.5 -95.8 14.7 44.1 12.4 -2.0 93 90 A T H 3> S+ 0 0 34 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.841 70.5 57.3 -49.8 -45.1 45.6 14.0 -5.1 94 91 A K H 3> S+ 0 0 70 -3,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.895 110.7 43.9 -57.8 -39.4 48.8 15.3 -3.5 95 92 A Y H <> S+ 0 0 2 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.875 111.7 52.5 -77.3 -35.5 49.7 11.8 -2.3 96 93 A R H X S+ 0 0 71 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.907 111.2 48.1 -63.3 -41.0 48.8 10.2 -5.7 97 94 A E H X S+ 0 0 107 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.905 110.8 49.8 -68.0 -40.1 51.0 12.7 -7.4 98 95 A A H X S+ 0 0 2 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.864 107.8 55.7 -64.4 -36.1 53.9 12.1 -5.0 99 96 A S H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.922 103.7 53.2 -60.6 -45.8 53.5 8.4 -5.6 100 97 A V H X S+ 0 0 68 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.899 104.0 57.9 -57.4 -40.4 53.9 8.9 -9.3 101 98 A E H X S+ 0 0 68 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.924 112.1 39.8 -53.5 -46.8 57.2 10.7 -8.6 102 99 A V H X S+ 0 0 3 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.919 113.6 52.2 -73.2 -45.0 58.6 7.7 -6.8 103 100 A M H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.863 106.6 54.8 -60.4 -37.0 57.2 5.1 -9.2 104 101 A E H < S+ 0 0 121 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.894 109.2 47.4 -67.7 -35.7 58.7 6.9 -12.2 105 102 A I H >X S+ 0 0 12 -4,-1.3 3,-1.6 -5,-0.2 4,-0.5 0.945 111.2 50.5 -66.4 -48.6 62.2 6.8 -10.6 106 103 A M H >X S+ 0 0 3 -4,-2.5 3,-1.7 1,-0.3 4,-1.3 0.887 101.7 63.5 -55.2 -39.5 61.9 3.1 -9.7 107 104 A S H 3< S+ 0 0 38 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.675 90.4 66.7 -62.5 -19.6 60.9 2.4 -13.3 108 105 A R H <4 S+ 0 0 147 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.792 106.3 42.0 -69.1 -26.9 64.3 3.6 -14.5 109 106 A F H << S- 0 0 59 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.816 127.1 -32.4 -88.5 -34.4 65.9 0.6 -12.8 110 107 A A S < S- 0 0 19 -4,-1.3 -1,-0.3 16,-0.0 2,-0.2 -0.984 75.8 -58.4-173.3 168.8 63.5 -2.2 -13.6 111 108 A V - 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0 0 2 -6,-0.6 -1,-0.3 1,-0.0 2,-0.3 -0.631 46.5-149.4 -91.7 137.3 61.5 10.8 0.5 210 211 A Q + 0 0 63 -2,-0.3 -192,-2.1 -192,-0.2 2,-0.3 -0.671 20.0 176.5 -95.8 156.1 63.1 7.9 2.5 211 212 A C E -B 17 0A 2 -194,-0.3 2,-0.3 -2,-0.3 -194,-0.2 -0.954 23.9-130.0-151.4 166.7 62.0 4.3 2.2 212 213 A S E -B 16 0A 0 -196,-2.7 -196,-2.5 -2,-0.3 2,-0.3 -0.772 24.7-164.6-112.9 164.1 62.6 0.8 3.3 213 214 A A E -Bf 15 234A 0 20,-1.5 22,-2.3 -2,-0.3 2,-0.4 -0.998 15.2-148.8-150.8 153.5 63.1 -2.3 1.2 214 215 A G E -Bf 14 235A 0 -200,-2.2 -200,-2.0 -2,-0.3 2,-0.4 -0.943 12.3-163.8-114.9 140.6 63.1 -6.1 1.2 215 216 A I E +Bf 13 236A 0 20,-2.6 22,-2.3 -2,-0.4 -202,-0.2 -0.988 32.3 120.1-126.1 124.1 65.2 -8.2 -1.1 216 217 A S E S-B 12 0A 0 -204,-2.7 -204,-2.8 -2,-0.4 22,-0.1 -0.737 71.4 -78.9-154.4-159.3 64.5 -11.9 -1.6 217 218 A H S S+ 0 0 2 20,-0.3 -207,-0.4 -206,-0.2 2,-0.3 0.448 104.3 18.6 -97.2 -3.9 63.6 -14.6 -4.2 218 219 A N S > S- 0 0 1 -206,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.958 82.6 -98.4-158.5 170.9 59.8 -13.8 -4.3 219 220 A K H > S+ 0 0 3 88,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.898 115.4 52.5 -65.1 -43.4 57.2 -11.2 -3.5 220 221 A V H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 35,-0.2 0.937 114.1 41.9 -63.4 -46.3 56.0 -12.7 -0.2 221 222 A L H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.866 113.3 53.9 -69.4 -33.9 59.5 -12.9 1.3 222 223 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -208,-0.3 0.921 110.8 46.6 -63.8 -42.0 60.5 -9.5 -0.1 223 224 A K H X S+ 0 0 70 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.922 114.5 46.4 -62.9 -47.6 57.4 -7.9 1.6 224 225 A L H X S+ 0 0 22 -4,-2.3 4,-0.5 -5,-0.2 3,-0.4 0.935 112.6 51.0 -62.1 -45.5 58.2 -9.7 4.9 225 226 A A H >X S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.5 0.887 101.8 61.3 -57.3 -42.3 61.8 -8.7 4.7 226 227 A C H >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.888 103.7 50.0 -54.8 -41.0 61.0 -5.0 4.1 227 228 A G H 3< S+ 0 0 53 -4,-1.2 3,-0.3 -3,-0.4 -1,-0.3 0.564 90.2 80.5 -75.8 -10.8 59.2 -4.8 7.4 228 229 A L H << S+ 0 0 56 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.793 104.0 24.6 -73.3 -26.9 62.0 -6.3 9.5 229 230 A N S << S- 0 0 39 -3,-0.7 4,-0.4 -4,-0.5 -16,-0.3 -0.809 89.1-162.1-142.1 94.4 64.1 -3.1 9.7 230 231 A K + 0 0 61 -3,-0.3 2,-0.1 -2,-0.3 4,-0.1 -0.915 46.4 37.1-124.8 154.9 62.3 0.2 9.3 231 232 A P S S- 0 0 48 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.649 121.4 -11.6 -95.6 173.9 62.6 3.0 8.8 232 233 A N S S+ 0 0 36 1,-0.2 2,-0.3 -2,-0.1 -20,-0.2 0.790 107.6 97.3 58.4 35.7 65.2 3.9 6.2 233 234 A R - 0 0 68 -4,-0.4 -20,-1.5 -7,-0.2 2,-0.3 -0.931 58.8-139.6-143.6 165.7 66.9 0.5 5.9 234 235 A Q E -ef 148 213A 0 -87,-2.5 -85,-2.6 -2,-0.3 2,-0.4 -0.967 11.2-151.1-132.2 154.4 66.7 -2.6 3.7 235 236 A T E -ef 149 214A 0 -22,-2.3 -20,-2.6 -2,-0.3 2,-0.6 -0.977 5.1-149.6-130.7 131.1 66.8 -6.2 4.5 236 237 A L E -ef 150 215A 1 -87,-2.9 -85,-2.1 -2,-0.4 2,-0.6 -0.900 11.1-168.2-100.9 121.5 68.0 -9.3 2.6 237 238 A V - 0 0 0 -22,-2.3 -20,-0.3 -2,-0.6 2,-0.1 -0.947 12.8-159.6-109.4 106.9 66.2 -12.5 3.4 238 239 A S >> - 0 0 9 -2,-0.6 3,-0.8 -87,-0.3 4,-0.5 -0.444 30.2-111.8 -82.6 162.3 68.1 -15.5 1.9 239 240 A H G >4 S+ 0 0 41 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.920 119.5 54.6 -58.3 -40.1 66.6 -18.9 1.1 240 241 A G G 34 S+ 0 0 62 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.721 99.3 61.8 -68.2 -21.6 68.8 -20.3 3.9 241 242 A S G <> S+ 0 0 14 -3,-0.8 4,-2.3 1,-0.2 -1,-0.3 0.625 83.5 85.8 -73.9 -13.5 67.4 -17.8 6.4 242 243 A V H S+ 0 0 95 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.928 116.4 38.2 -57.4 -45.6 63.8 -22.1 8.5 244 245 A Q H > S+ 0 0 146 -4,-0.4 4,-0.6 2,-0.2 3,-0.3 0.934 117.6 50.5 -68.8 -42.5 64.9 -20.0 11.5 245 246 A L H >< S+ 0 0 17 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.925 115.2 42.6 -57.3 -45.9 62.9 -17.0 10.4 246 247 A F H >< S+ 0 0 1 -4,-3.3 29,-2.4 1,-0.2 3,-1.0 0.676 95.0 80.6 -77.6 -15.9 59.7 -19.0 10.0 247 248 A S H 3< S+ 0 0 61 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.764 111.7 19.9 -66.4 -23.6 60.2 -21.0 13.2 248 249 A Q T << S+ 0 0 149 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.075 95.8 120.2-127.3 22.2 58.9 -18.2 15.4 249 250 A M < - 0 0 22 -3,-1.0 25,-2.8 -5,-0.1 26,-0.2 -0.807 64.3-126.5 -93.7 112.2 56.9 -16.2 12.7 250 251 A P B > -K 273 0D 29 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.302 18.9-124.9 -53.4 137.4 53.2 -15.9 13.5 251 252 A I G > S+ 0 0 0 21,-1.8 3,-1.9 1,-0.3 6,-0.2 0.850 106.1 65.9 -50.6 -39.1 51.2 -17.1 10.5 252 253 A R G 3 S+ 0 0 148 1,-0.3 -1,-0.3 20,-0.2 4,-0.1 0.633 87.2 70.7 -67.7 -12.2 49.3 -13.8 10.3 253 254 A K G < S+ 0 0 115 -3,-1.9 2,-0.4 4,-0.1 -1,-0.3 0.652 79.2 90.1 -80.0 -14.5 52.5 -11.9 9.4 254 255 A I S X S- 0 0 2 -3,-1.9 3,-2.4 -4,-0.2 4,-0.2 -0.696 94.1 -97.0 -86.1 134.4 52.6 -13.4 5.9 255 256 A R T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 -0.263 109.8 17.5 -56.4 126.3 50.9 -11.6 3.1 256 257 A S T 3 S+ 0 0 75 -4,-0.1 3,-0.3 -3,-0.0 6,-0.3 0.117 111.6 78.3 96.9 -11.0 47.4 -13.0 2.5 257 258 A L < + 0 0 1 -3,-2.4 -2,-0.2 -6,-0.2 -3,-0.1 0.240 62.6 94.6-107.6 11.8 47.2 -14.9 5.8 258 259 A G S S+ 0 0 61 -4,-0.2 -1,-0.2 4,-0.1 -6,-0.1 0.505 87.3 39.7 -80.2 -3.1 46.4 -11.8 8.0 259 260 A G S > S- 0 0 46 -3,-0.3 4,-2.2 0, 0.0 5,-0.2 -0.035 117.1 -37.3-120.6-141.5 42.7 -12.5 7.9 260 261 A K H > S+ 0 0 194 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 128.5 53.4 -61.6 -42.2 40.1 -15.3 8.0 261 262 A L H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 111.2 47.4 -61.4 -47.1 42.2 -17.9 6.0 262 263 A G H > S+ 0 0 1 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.906 110.4 52.2 -56.3 -43.8 45.2 -17.4 8.4 263 264 A A H X S+ 0 0 58 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.885 109.7 49.8 -59.3 -39.0 42.9 -17.7 11.4 264 265 A S H X S+ 0 0 39 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.856 106.0 55.1 -72.9 -33.3 41.6 -21.0 10.0 265 266 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 6,-0.4 0.943 112.1 44.9 -62.0 -44.9 45.1 -22.3 9.4 266 267 A I H X>S+ 0 0 59 -4,-2.1 4,-1.3 -5,-0.2 5,-0.8 0.932 118.9 41.4 -61.3 -47.6 45.8 -21.7 13.0 267 268 A E H <5S+ 0 0 167 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.938 118.2 42.6 -70.1 -49.8 42.5 -23.2 14.3 268 269 A I H <5S+ 0 0 86 -4,-2.9 -3,-0.2 1,-0.2 -1,-0.2 0.885 124.4 34.3 -69.8 -39.7 42.2 -26.2 12.1 269 270 A L H <5S- 0 0 26 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.662 99.6-130.8 -93.0 -15.6 45.9 -27.3 12.3 270 271 A G T <5 + 0 0 64 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.884 63.6 123.7 68.5 41.1 46.5 -26.2 15.9 271 272 A I < - 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