==== 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 DNA MISMATCH REPAIR 20-JAN-99 1B63 . COMPND 2 MOLECULE: MUTL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR W.YANG . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 3 0.9 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 . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 3 2 0 1 0 0 0 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 1 3 2 1 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 . 1 0 0 1 0 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 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 S 0 0 169 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.3 10.0 57.2 49.2 2 -1 A H + 0 0 181 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.927 360.0 58.5 -62.4 -44.7 13.5 56.6 48.0 3 1 A M S S- 0 0 156 1,-0.1 2,-0.1 3,-0.0 3,-0.0 -0.682 94.2-119.9 -85.8 136.7 12.8 52.9 47.4 4 2 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.423 29.5-101.7 -74.7 152.6 9.9 52.1 45.1 5 3 A I + 0 0 182 -2,-0.1 2,-0.4 -4,-0.1 0, 0.0 -0.646 58.7 175.2 -71.2 124.7 6.8 50.2 46.3 6 4 A Q - 0 0 156 -2,-0.5 -3,-0.0 -3,-0.0 -1,-0.0 -0.996 36.9-107.1-142.3 140.0 7.6 46.7 44.9 7 5 A V - 0 0 136 -2,-0.4 6,-0.0 1,-0.1 0, 0.0 -0.320 46.5-111.6 -58.9 141.9 6.1 43.3 45.0 8 6 A L - 0 0 84 1,-0.1 -1,-0.1 2,-0.1 5,-0.0 -0.537 31.9-101.0 -79.6 142.5 8.3 41.0 47.2 9 7 A P > - 0 0 60 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.330 39.6-112.9 -57.6 145.5 10.2 38.1 45.5 10 8 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.906 112.3 47.7 -47.1 -58.6 8.2 34.9 46.1 11 9 A Q H > S+ 0 0 43 119,-2.8 4,-1.8 1,-0.2 5,-0.1 0.910 114.3 47.0 -53.5 -47.2 10.7 33.1 48.4 12 10 A L H > S+ 0 0 76 118,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.895 109.5 53.2 -63.6 -41.4 11.2 36.2 50.6 13 11 A A H X S+ 0 0 16 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.931 111.5 47.6 -59.0 -43.2 7.4 36.8 50.8 14 12 A N H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.813 108.0 55.1 -65.9 -32.6 7.1 33.2 52.0 15 13 A Q H X S+ 0 0 24 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.851 105.4 51.8 -70.9 -34.1 9.9 33.6 54.5 16 14 A I H X S+ 0 0 75 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.899 113.0 46.1 -66.2 -39.2 8.1 36.6 56.1 17 15 A A H >X S+ 0 0 12 -4,-1.6 3,-1.0 1,-0.2 4,-0.9 0.890 109.1 55.1 -68.8 -40.7 5.1 34.3 56.4 18 16 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.3 3,-0.4 0.824 99.0 61.6 -62.5 -32.4 7.1 31.4 57.8 19 17 A G H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.785 106.8 46.8 -66.0 -23.2 8.5 33.7 60.5 20 18 A E H << S+ 0 0 112 -3,-1.0 288,-0.2 -4,-0.6 -1,-0.2 0.647 125.5 25.6 -93.0 -18.2 4.9 34.1 61.8 21 19 A V H < S+ 0 0 11 -4,-0.9 2,-0.7 -3,-0.4 -2,-0.2 0.670 118.6 55.3-115.6 -27.3 3.8 30.4 61.7 22 20 A V < + 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 4,-0.0 -0.849 49.7 153.1-112.9 95.9 7.1 28.5 62.1 23 21 A E S S- 0 0 125 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.777 72.1 -14.9 -92.3 -27.7 9.0 29.6 65.2 24 22 A R S >> S- 0 0 42 1,-0.1 3,-1.9 139,-0.1 4,-1.2 -0.957 84.0 -75.4-161.6 174.5 10.9 26.3 65.7 25 23 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.879 124.9 60.3 -46.8 -44.5 11.0 22.6 64.6 26 24 A A H 3> S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.795 101.1 56.2 -54.4 -30.7 8.0 21.8 66.9 27 25 A S H <> S+ 0 0 16 -3,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.896 105.0 49.9 -68.8 -42.7 6.0 24.3 64.8 28 26 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.5 5,-0.2 0.917 111.5 49.9 -62.1 -41.2 6.8 22.5 61.6 29 27 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.918 108.3 52.9 -62.7 -44.2 5.6 19.3 63.3 30 28 A K H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.958 112.3 43.9 -55.5 -55.0 2.4 20.9 64.4 31 29 A E H X S+ 0 0 4 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.875 115.8 46.3 -60.1 -42.7 1.5 22.1 60.9 32 30 A L H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.902 112.9 48.7 -70.5 -41.2 2.4 18.8 59.2 33 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.902 108.1 54.2 -66.0 -39.6 0.6 16.6 61.7 34 32 A E H X S+ 0 0 7 -4,-2.2 4,-2.5 -5,-0.3 60,-0.3 0.857 107.2 52.9 -63.4 -31.0 -2.6 18.7 61.5 35 33 A N H X S+ 0 0 40 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.917 107.6 50.2 -66.8 -40.7 -2.4 18.2 57.8 36 34 A S H <>S+ 0 0 4 -4,-1.8 5,-2.2 1,-0.2 -2,-0.2 0.895 111.8 48.7 -63.3 -39.5 -2.3 14.5 58.3 37 35 A L H ><5S+ 0 0 16 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.919 109.2 51.2 -66.3 -45.1 -5.3 14.7 60.6 38 36 A D H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 103.7 61.4 -61.4 -26.9 -7.2 16.8 58.2 39 37 A A T 3<5S- 0 0 27 -4,-1.5 24,-2.4 -5,-0.1 -1,-0.3 0.386 122.8-104.8 -81.2 2.4 -6.5 14.2 55.6 40 38 A G T < 5 + 0 0 57 -3,-1.9 -3,-0.2 22,-0.2 -2,-0.1 0.633 58.7 174.3 83.7 16.1 -8.3 11.5 57.6 41 39 A A < - 0 0 1 -5,-2.2 -1,-0.2 -6,-0.2 21,-0.1 -0.246 23.5-178.1 -60.5 141.7 -5.1 9.9 58.8 42 40 A T S S+ 0 0 66 1,-0.3 146,-3.1 145,-0.1 2,-0.4 0.591 75.4 37.1-110.3 -24.7 -5.4 7.1 61.4 43 41 A R E -a 188 0A 92 144,-0.2 18,-1.2 -7,-0.1 2,-0.4 -0.999 64.1-175.6-134.0 131.1 -1.7 6.4 61.8 44 42 A I E -aB 189 60A 0 144,-2.5 146,-2.6 -2,-0.4 2,-0.6 -0.986 6.6-163.3-130.7 121.2 1.0 9.1 61.8 45 43 A D E -aB 190 59A 28 14,-2.8 14,-2.6 -2,-0.4 2,-0.5 -0.920 7.5-168.2-108.8 122.0 4.7 8.2 62.0 46 44 A I E -aB 191 58A 1 144,-3.2 146,-2.3 -2,-0.6 2,-0.5 -0.939 5.7-173.2-115.7 124.3 7.1 11.0 62.9 47 45 A D E -aB 192 57A 50 10,-3.3 10,-3.1 -2,-0.5 2,-0.4 -0.966 7.7-174.5-116.2 126.5 10.9 10.7 62.6 48 46 A I E -aB 193 56A 1 144,-2.0 146,-3.1 -2,-0.5 147,-0.4 -0.946 6.9-163.8-121.8 141.1 13.1 13.5 64.0 49 47 A E E > >S- B 0 55A 57 6,-2.4 3,-2.4 -2,-0.4 5,-1.3 -0.984 72.2 -8.4-125.7 136.5 16.8 13.9 63.7 50 48 A R G > 5S- 0 0 161 -2,-0.4 3,-1.7 1,-0.3 4,-0.3 0.920 129.5 -52.8 45.1 56.7 19.0 16.2 65.8 51 49 A G G 3 5S- 0 0 0 1,-0.3 -1,-0.3 -3,-0.2 122,-0.1 0.478 100.4 -64.8 63.8 1.5 15.9 17.9 67.4 52 50 A G G < 5S+ 0 0 0 -3,-2.4 100,-0.4 3,-0.2 -1,-0.3 0.284 117.0 102.4 106.5 -11.4 14.4 18.6 64.0 53 51 A A T < 5S+ 0 0 35 -3,-1.7 99,-0.4 -4,-0.1 -3,-0.2 0.690 93.8 35.6 -76.8 -17.7 17.1 21.1 62.7 54 52 A K S > - 0 0 97 -2,-0.4 3,-2.8 49,-0.1 4,-0.6 -0.357 27.2-118.5 -63.1 138.1 -3.7 13.9 43.7 67 65 A K G >4 S+ 0 0 94 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.862 113.8 53.8 -44.8 -47.5 -0.7 14.2 41.3 68 66 A D G 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.461 109.7 49.7 -73.4 1.9 -2.2 17.2 39.5 69 67 A E G <> S+ 0 0 78 -3,-2.8 4,-1.9 2,-0.1 -1,-0.2 0.402 81.0 94.6-117.1 -0.1 -2.6 19.0 42.8 70 68 A L H > S+ 0 0 42 -4,-0.4 3,-1.2 1,-0.2 4,-0.6 0.905 109.8 55.8 -65.1 -42.5 2.3 21.8 43.0 72 70 A L H >4 S+ 0 0 93 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.845 99.4 60.4 -58.5 -36.1 -0.9 23.5 44.3 73 71 A A H 3< S+ 0 0 29 -4,-1.9 29,-0.3 1,-0.2 -1,-0.3 0.780 109.0 43.8 -63.9 -24.1 -0.2 22.1 47.7 74 72 A L H << S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.502 98.8 96.8 -96.9 -5.3 3.2 24.0 47.7 75 73 A A S X< S- 0 0 38 -3,-0.9 3,-0.6 -4,-0.6 27,-0.4 -0.351 81.6 -97.8 -81.0 164.0 1.6 27.2 46.2 76 74 A R T 3 S+ 0 0 86 1,-0.2 23,-0.2 26,-0.1 -1,-0.1 -0.469 96.4 4.5 -82.4 154.3 0.5 30.2 48.3 77 75 A H T 3 S+ 0 0 132 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.768 95.3 130.8 45.7 36.1 -3.0 30.8 49.4 78 76 A A < + 0 0 30 20,-1.9 2,-0.3 -3,-0.6 -1,-0.2 -0.973 24.7 152.2-123.4 126.5 -4.2 27.5 48.0 79 77 A T - 0 0 53 -2,-0.5 -6,-0.0 3,-0.2 -3,-0.0 -0.979 43.0-153.0-148.8 160.5 -6.3 25.1 49.9 80 78 A S S S+ 0 0 109 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.336 88.8 77.1-110.0 0.1 -8.9 22.4 49.6 81 79 A K S S+ 0 0 61 1,-0.2 2,-0.3 2,-0.0 11,-0.2 0.724 104.2 10.5 -87.5 -23.1 -10.3 23.1 53.1 82 80 A I + 0 0 34 14,-0.1 -3,-0.2 9,-0.1 -1,-0.2 -0.962 45.9 174.2-148.5 161.7 -12.4 26.2 52.4 83 81 A A + 0 0 96 -2,-0.3 2,-0.3 1,-0.3 3,-0.1 0.299 67.9 37.8-150.4 0.2 -13.5 28.1 49.3 84 82 A S S > S- 0 0 52 1,-0.1 4,-1.9 0, 0.0 -1,-0.3 -0.945 81.0-106.7-149.9 169.3 -15.8 30.8 50.6 85 83 A L H > S+ 0 0 109 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.906 120.8 57.7 -66.3 -39.2 -16.3 33.2 53.4 86 84 A D H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.919 105.9 49.7 -56.1 -43.4 -19.1 31.0 54.7 87 85 A D H >4 S+ 0 0 68 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.909 110.7 50.2 -61.3 -41.5 -16.6 28.1 54.8 88 86 A L H >< S+ 0 0 40 -4,-1.9 3,-0.9 1,-0.2 215,-0.3 0.889 107.9 51.8 -64.5 -39.9 -14.2 30.4 56.8 89 87 A E H 3< S+ 0 0 112 -4,-2.7 212,-0.2 1,-0.3 -1,-0.2 0.582 116.0 42.1 -75.8 -7.6 -16.8 31.5 59.3 90 88 A A T << S- 0 0 20 -3,-0.7 -1,-0.3 -4,-0.7 209,-0.1 -0.291 84.0-174.3-131.2 47.9 -17.7 27.8 60.0 91 89 A I < + 0 0 17 -3,-0.9 -3,-0.1 207,-0.3 -9,-0.1 -0.171 16.0 168.2 -49.9 126.9 -14.2 26.2 60.1 92 90 A I + 0 0 154 -11,-0.2 2,-0.3 3,-0.1 -1,-0.1 -0.011 58.5 59.6-130.6 27.2 -14.4 22.4 60.5 93 91 A S S S- 0 0 25 1,-0.1 170,-0.0 2,-0.1 -59,-0.0 -0.975 81.6-117.9-150.1 157.5 -10.7 21.6 59.7 94 92 A L S S+ 0 0 22 -2,-0.3 2,-0.2 -60,-0.3 -1,-0.1 0.918 97.3 48.6 -66.1 -43.5 -7.4 22.5 61.3 95 93 A G + 0 0 9 -61,-0.2 -3,-0.1 1,-0.1 -2,-0.1 -0.641 46.9 140.3-100.4 158.3 -6.1 24.2 58.2 96 94 A F + 0 0 10 -2,-0.2 -1,-0.1 -5,-0.1 -14,-0.1 0.338 57.9 79.8-167.7 -7.0 -7.7 26.9 56.0 97 95 A R S S- 0 0 81 210,-0.1 -20,-0.1 -19,-0.1 -18,-0.1 0.721 79.4-140.7 -84.9 -21.8 -5.0 29.5 55.0 98 96 A G S S+ 0 0 19 -21,-0.2 -20,-1.9 -22,-0.1 4,-0.1 0.762 77.0 97.3 65.4 28.3 -3.5 27.3 52.2 99 97 A E > + 0 0 4 -22,-0.2 4,-3.0 -23,-0.2 5,-0.2 0.695 43.3 87.5-118.9 -29.2 -0.1 28.6 53.4 100 98 A A H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 94.3 43.2 -46.4 -53.3 1.8 26.3 55.8 101 99 A L H > S+ 0 0 18 -28,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 115.9 47.6 -64.0 -44.0 3.6 24.1 53.2 102 100 A A H > S+ 0 0 1 -27,-0.4 4,-1.1 -29,-0.3 -2,-0.2 0.939 113.3 49.8 -62.0 -45.9 4.6 27.1 51.0 103 101 A S H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.939 114.4 43.9 -56.5 -50.0 5.8 29.0 54.1 104 102 A I H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.859 107.3 57.9 -65.9 -38.7 7.9 26.0 55.4 105 103 A S H >< S+ 0 0 8 -4,-2.6 3,-0.8 1,-0.3 5,-0.3 0.764 98.6 62.6 -65.8 -21.0 9.4 25.1 52.0 106 104 A S T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.663 110.8 37.2 -77.9 -14.2 10.8 28.7 51.8 107 105 A V T < S+ 0 0 0 -3,-1.4 46,-3.5 -4,-0.4 47,-0.4 0.029 124.1 21.6-125.3 26.4 13.0 28.1 54.9 108 106 A S S < S- 0 0 4 -3,-0.8 2,-0.9 44,-0.2 43,-0.2 -0.950 88.0 -85.8-168.8-177.6 14.0 24.4 54.4 109 107 A R E -D 150 0A 121 41,-2.4 41,-2.2 -2,-0.3 2,-0.4 -0.880 55.3-176.5-105.3 93.2 14.4 21.6 51.9 110 108 A L E -D 149 0A 7 -2,-0.9 2,-0.4 -5,-0.3 17,-0.4 -0.815 9.9-169.8-100.1 132.8 10.8 20.3 51.9 111 109 A T E -D 148 0A 28 37,-2.9 37,-2.2 -2,-0.4 2,-0.5 -0.978 5.8-159.5-123.4 132.8 9.8 17.2 50.0 112 110 A L E +DE 147 125A 0 13,-3.0 13,-2.8 -2,-0.4 2,-0.4 -0.942 12.1 176.5-114.8 118.7 6.2 16.1 49.4 113 111 A T E +DE 146 124A 9 33,-2.4 33,-2.6 -2,-0.5 2,-0.3 -0.976 16.1 150.2-120.9 131.7 5.6 12.4 48.4 114 112 A S E -DE 145 123A 1 9,-2.6 9,-2.2 -2,-0.4 2,-0.3 -0.999 25.8-170.7-161.4 156.8 2.0 11.1 48.0 115 113 A R E -D 144 0A 52 29,-1.9 29,-2.5 -2,-0.3 2,-0.2 -0.978 17.5-142.6-149.8 137.4 -0.4 8.7 46.3 116 114 A T > - 0 0 13 5,-0.3 3,-1.8 -2,-0.3 -52,-0.1 -0.593 32.5-106.0 -97.7 163.1 -4.2 8.5 46.4 117 115 A A T 3 S+ 0 0 70 -54,-0.5 -1,-0.1 1,-0.3 -53,-0.1 0.781 120.9 55.2 -58.1 -26.9 -6.3 5.3 46.5 118 116 A E T 3 S+ 0 0 163 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.587 96.5 82.0 -83.1 -10.7 -7.2 5.9 42.8 119 117 A Q < - 0 0 31 -3,-1.8 -4,-0.0 1,-0.1 3,-0.0 -0.806 49.6-173.2-102.5 136.7 -3.6 6.1 41.7 120 118 A Q S S+ 0 0 184 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.735 79.7 67.4 -88.2 -28.2 -1.3 3.2 41.0 121 119 A E S S- 0 0 117 19,-0.1 -5,-0.3 17,-0.0 2,-0.3 -0.715 71.9-151.4 -97.7 141.8 1.5 5.7 40.6 122 120 A A E - F 0 139A 3 17,-0.9 17,-1.6 -2,-0.3 2,-0.3 -0.779 13.8-159.2-107.4 153.8 3.0 7.8 43.4 123 121 A W E -EF 114 138A 45 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.4 -0.922 8.5-151.6-134.7 161.6 4.6 11.2 42.9 124 122 A Q E -EF 113 137A 46 13,-2.7 13,-2.6 -2,-0.3 2,-0.3 -0.978 14.9-177.0-133.1 141.8 7.0 13.6 44.7 125 123 A A E +EF 112 136A 0 -13,-2.8 -13,-3.0 -2,-0.4 2,-0.3 -0.980 7.8 168.0-142.1 154.3 7.3 17.4 44.6 126 124 A Y E - F 0 135A 52 9,-1.3 9,-2.1 -2,-0.3 2,-0.3 -0.975 25.4-125.7-161.2 151.4 9.4 20.2 45.9 127 125 A A E + F 0 134A 17 -17,-0.4 2,-0.3 -2,-0.3 7,-0.2 -0.738 27.5 177.3-103.1 152.3 9.9 24.0 45.3 128 126 A E E > + F 0 133A 88 5,-1.9 5,-2.6 -2,-0.3 3,-0.2 -0.971 31.8 24.9-149.2 162.8 13.1 25.8 44.5 129 127 A G T > 5S- 0 0 41 -2,-0.3 3,-3.1 3,-0.2 -118,-0.1 0.303 94.6 -60.1 69.2 162.4 14.6 29.3 43.7 130 128 A R T 3 5S+ 0 0 190 1,-0.3 -119,-2.8 2,-0.1 -118,-0.3 0.734 139.6 47.8 -48.9 -26.0 13.6 32.8 44.5 131 129 A D T 3 5S- 0 0 106 -121,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.431 108.4-126.1 -97.7 -0.6 10.4 32.1 42.5 132 130 A M T < 5 - 0 0 25 -3,-3.1 -3,-0.2 1,-0.2 2,-0.2 0.929 34.0-167.1 57.9 50.6 9.7 28.8 44.3 133 131 A N E < -F 128 0A 105 -5,-2.6 -5,-1.9 -6,-0.1 2,-0.4 -0.470 9.8-138.1 -70.6 139.5 9.4 26.7 41.1 134 132 A V E -F 127 0A 49 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.827 14.6-166.0-104.5 137.0 7.9 23.2 41.6 135 133 A T E -F 126 0A 49 -9,-2.1 -9,-1.3 -2,-0.4 2,-0.4 -0.960 5.6-159.1-119.6 138.6 9.2 20.0 40.1 136 134 A V E +F 125 0A 62 -2,-0.4 -11,-0.2 -11,-0.2 -13,-0.0 -0.966 18.3 167.9-118.6 133.7 7.1 16.8 40.1 137 135 A K E -F 124 0A 83 -13,-2.6 -13,-2.7 -2,-0.4 -2,-0.0 -0.955 37.8 -83.5-143.7 161.3 8.7 13.4 39.6 138 136 A P E +F 123 0A 96 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.175 50.3 164.1 -61.2 156.4 7.9 9.7 40.0 139 137 A A E -F 122 0A 31 -17,-1.6 -17,-0.9 2,-0.1 2,-0.5 -0.979 37.9-111.8-166.0 166.2 8.2 7.9 43.3 140 138 A A + 0 0 97 -2,-0.3 -19,-0.1 -19,-0.1 -25,-0.0 -0.929 50.8 138.1-108.5 131.3 7.3 4.8 45.3 141 139 A H - 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0 0 11 -3,-1.4 4,-1.9 -49,-0.2 3,-0.5 -0.728 62.1-178.7-133.3 82.3 17.8 32.1 57.0 157 155 A P H > S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.810 77.4 52.7 -48.2 -49.5 20.9 32.7 59.2 158 156 A A H > S+ 0 0 64 1,-0.2 4,-0.5 2,-0.2 3,-0.0 0.886 112.5 45.2 -61.6 -40.7 19.4 35.0 61.8 159 157 A R H >4 S+ 0 0 69 -3,-0.5 3,-1.1 1,-0.2 4,-0.4 0.859 104.8 59.7 -73.2 -35.9 16.5 32.5 62.6 160 158 A R H >< S+ 0 0 111 -4,-1.9 3,-1.7 -7,-0.3 -1,-0.2 0.868 95.9 66.5 -60.9 -30.6 18.8 29.5 62.7 161 159 A K H 3< S+ 0 0 173 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.834 91.9 61.1 -56.3 -37.0 20.6 31.3 65.6 162 160 A F T << S+ 0 0 162 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.604 77.1 115.3 -69.1 -12.7 17.4 31.0 67.7 163 161 A L < - 0 0 38 -3,-1.7 3,-0.1 -4,-0.4 -139,-0.1 -0.370 55.5-150.5 -61.7 133.3 17.5 27.2 67.6 164 162 A R - 0 0 177 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.049 39.5 -49.8 -89.2-164.1 18.2 25.7 71.1 165 163 A T > - 0 0 84 1,-0.1 4,-3.1 4,-0.0 5,-0.3 -0.292 53.4-109.9 -69.1 156.6 19.9 22.5 71.9 166 164 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 121.4 48.6 -50.1 -45.6 18.9 19.2 70.2 167 165 A K H > S+ 0 0 151 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 112.2 47.2 -61.9 -52.7 17.4 18.0 73.5 168 166 A T H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.957 113.3 47.5 -55.2 -55.8 15.5 21.2 74.1 169 167 A E H X S+ 0 0 5 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.885 112.8 48.8 -56.4 -41.6 14.1 21.4 70.5 170 168 A F H X S+ 0 0 15 -4,-2.3 4,-3.0 -5,-0.3 -1,-0.2 0.911 105.2 60.3 -64.9 -39.7 13.1 17.8 70.6 171 169 A N H X S+ 0 0 83 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.890 103.6 49.2 -54.9 -41.4 11.4 18.4 73.9 172 170 A H H X S+ 0 0 71 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.906 110.8 51.0 -65.0 -38.9 9.1 20.9 72.4 173 171 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.951 109.9 49.5 -59.6 -49.6 8.3 18.5 69.6 174 172 A D H X S+ 0 0 17 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.902 111.3 49.6 -57.3 -42.4 7.5 15.8 72.2 175 173 A E H X S+ 0 0 60 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.897 110.3 50.5 -64.9 -39.8 5.2 18.3 74.0 176 174 A I H X S+ 0 0 21 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.928 111.0 47.6 -63.0 -45.6 3.4 19.2 70.8 177 175 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.874 107.5 59.6 -62.4 -36.6 2.8 15.5 70.0 178 176 A R H X S+ 0 0 50 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.964 108.1 43.0 -53.5 -57.4 1.6 15.2 73.6 179 177 A R H X S+ 0 0 31 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.889 115.3 48.8 -59.9 -42.4 -1.1 17.8 73.0 180 178 A I H >X S+ 0 0 7 -4,-2.3 4,-1.5 1,-0.2 3,-0.8 0.891 106.2 56.3 -66.8 -39.6 -2.1 16.4 69.6 181 179 A A H 3< S+ 0 0 0 -4,-2.9 6,-0.2 1,-0.3 -1,-0.2 0.866 107.2 50.6 -60.6 -35.8 -2.3 12.8 70.9 182 180 A L H 3< S+ 0 0 0 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.3 0.655 104.7 57.9 -76.4 -16.8 -4.8 13.9 73.5 183 181 A A H << S+ 0 0 18 -3,-0.8 2,-0.5 -4,-0.7 -1,-0.2 0.840 115.7 33.0 -80.7 -35.4 -7.0 15.7 70.9 184 182 A R >< + 0 0 78 -4,-1.5 3,-1.2 1,-0.1 -1,-0.3 -0.839 57.2 171.6-127.0 94.7 -7.5 12.6 68.9 185 183 A F T 3 S+ 0 0 17 -2,-0.5 19,-3.2 -3,-0.3 -1,-0.1 0.745 80.3 66.7 -70.9 -21.9 -7.7 9.3 70.8 186 184 A D T 3 S+ 0 0 77 17,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.298 89.5 83.5 -82.7 11.9 -8.7 7.6 67.6 187 185 A V < - 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