==== 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 HYDROLASE 03-NOV-05 2EWF . COMPND 2 MOLECULE: NICKING ENDONUCLEASE N.BSPD6I; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR G.S.KACHALOVA,H.D.BARTUNIK,R.I.ARTYUKH,E.A.ROGULIN,T.A.PEREV . 587 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.9 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 . 3 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 . 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 . 25 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 0 0 2 2 1 2 1 2 1 1 0 3 2 1 1 0 0 1 0 0 2 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A M 0 0 166 0, 0.0 204,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 145.6 14.9 27.9 92.7 2 2 A A + 0 0 73 118,-0.1 2,-0.3 2,-0.1 202,-0.0 0.590 360.0 112.7 -89.7 -6.8 12.4 26.3 90.4 3 3 A K S S- 0 0 50 1,-0.1 119,-0.2 119,-0.1 118,-0.2 -0.517 72.1-126.5 -65.7 126.2 12.4 29.5 88.4 4 4 A K - 0 0 83 117,-1.9 -2,-0.1 -2,-0.3 3,-0.1 -0.406 19.4-164.9 -66.2 149.4 13.9 29.0 84.9 5 5 A V + 0 0 14 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.320 61.8 44.7-127.4 7.8 16.7 31.5 84.2 6 6 A N - 0 0 34 152,-0.1 150,-0.2 150,-0.0 2,-0.2 -0.992 62.3-142.6-143.9 158.6 17.2 31.2 80.4 7 7 A W - 0 0 0 148,-2.5 2,-0.3 -2,-0.3 150,-0.1 -0.666 25.1-163.0-102.5 168.7 15.1 31.1 77.3 8 8 A Y - 0 0 105 -2,-0.2 2,-0.4 217,-0.0 215,-0.0 -1.000 24.4-132.3-152.6 161.6 15.9 28.9 74.3 9 9 A V - 0 0 1 -2,-0.3 217,-0.2 213,-0.1 216,-0.2 -0.898 49.0-101.7-103.3 135.0 15.4 28.2 70.7 10 10 A S - 0 0 15 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.160 19.1-158.0 -62.4 151.3 14.8 24.5 69.9 11 11 A C > + 0 0 37 1,-0.2 3,-1.0 3,-0.1 -1,-0.1 0.085 68.9 101.0-108.9 13.9 17.5 22.2 68.5 12 12 A S T 3 S+ 0 0 42 1,-0.9 -1,-0.2 2,-0.1 2,-0.1 -0.495 112.6 2.2-136.7 74.1 14.9 19.8 67.3 13 13 A P T 3 S- 0 0 6 0, 0.0 -1,-0.9 0, 0.0 6,-0.1 0.387 82.6-169.1 -96.1 161.8 15.3 20.9 64.7 14 14 A R S < S+ 0 0 68 -3,-1.0 215,-0.2 -2,-0.1 214,-0.2 0.652 79.9 63.8 -79.1 -13.1 18.0 23.5 65.0 15 15 A S S > S- 0 0 3 1,-0.1 3,-1.5 -4,-0.1 4,-0.1 -0.955 79.4-144.1-116.8 133.3 17.3 24.8 61.5 16 16 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.745 90.4 67.5 -70.7 -28.3 13.8 26.3 61.0 17 17 A E G 3 S+ 0 0 51 1,-0.3 3,-0.3 2,-0.2 83,-0.0 0.676 89.4 69.7 -65.2 -12.5 13.0 25.2 57.5 18 18 A K G <> S+ 0 0 83 -3,-1.5 4,-0.7 1,-0.2 -1,-0.3 0.571 85.2 70.4 -84.3 -4.1 12.9 21.6 58.8 19 19 A I H <> S+ 0 0 0 -3,-1.7 4,-2.5 -4,-0.1 3,-0.4 0.924 82.6 69.1 -74.2 -41.3 9.7 22.3 60.7 20 20 A Q H > S+ 0 0 40 -4,-0.5 4,-2.6 -3,-0.3 5,-0.2 0.867 98.5 47.3 -50.2 -50.9 7.4 22.6 57.7 21 21 A P H > S+ 0 0 40 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.924 114.3 48.9 -63.0 -37.4 7.4 19.0 56.6 22 22 A E H X S+ 0 0 0 -4,-0.7 4,-3.0 -3,-0.4 -2,-0.2 0.914 112.3 48.1 -57.3 -47.1 6.7 17.9 60.3 23 23 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.876 106.7 56.3 -66.6 -36.2 3.9 20.4 60.6 24 24 A K H < S+ 0 0 108 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.911 111.2 44.6 -64.4 -37.3 2.4 19.3 57.4 25 25 A V H >< S+ 0 0 16 -4,-1.5 3,-1.4 -5,-0.2 -2,-0.2 0.951 113.6 49.8 -68.6 -48.3 2.3 15.7 58.8 26 26 A L H >< S+ 0 0 0 -4,-3.0 3,-2.7 1,-0.3 -2,-0.2 0.833 97.5 67.6 -61.2 -33.1 0.9 16.9 62.2 27 27 A A G >< S+ 0 0 31 -4,-2.5 3,-1.7 1,-0.3 -1,-0.3 0.784 87.0 70.4 -62.2 -21.9 -1.8 18.9 60.6 28 28 A N G < S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.641 94.8 55.7 -64.0 -19.2 -3.4 15.6 59.5 29 29 A F G X S+ 0 0 21 -3,-2.7 3,-2.1 -4,-0.2 55,-0.3 0.261 73.7 138.6-101.7 12.6 -4.2 15.0 63.1 30 30 A E T < S+ 0 0 87 -3,-1.7 55,-0.2 1,-0.3 3,-0.1 -0.306 72.5 24.1 -51.3 135.7 -6.1 18.1 63.7 31 31 A G T 3 S+ 0 0 28 53,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.400 92.7 132.3 87.4 -1.9 -9.2 17.3 65.8 32 32 A S < - 0 0 33 -3,-2.1 52,-2.9 52,-0.2 -1,-0.3 -0.556 69.7-105.0 -76.0 143.8 -7.6 14.2 67.3 33 33 A Y B +A 83 0A 54 50,-0.2 9,-0.3 -2,-0.2 50,-0.2 -0.554 45.5 172.4 -66.5 134.4 -7.7 13.7 71.0 34 34 A W + 0 0 16 48,-3.2 2,-0.4 -2,-0.2 49,-0.1 0.023 39.1 91.4-139.8 22.4 -4.2 14.5 72.2 35 35 A K S > S- 0 0 89 47,-0.3 4,-1.2 46,-0.1 3,-0.4 -0.959 83.3 -23.4-126.1 143.3 -4.3 14.5 75.9 36 36 A G T 4 S- 0 0 54 -2,-0.4 3,-0.5 1,-0.2 4,-0.3 -0.159 111.7 -32.5 64.4-158.0 -3.6 11.8 78.5 37 37 A V T >4 S+ 0 0 100 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.802 139.0 58.7 -71.7 -29.5 -3.9 8.1 77.7 38 38 A K T >4 S+ 0 0 119 -3,-0.4 3,-0.5 1,-0.3 4,-0.5 0.833 99.0 63.4 -69.8 -19.7 -6.7 8.6 75.2 39 39 A G T 3X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.5 -1,-0.3 0.688 82.8 81.8 -67.3 -23.8 -4.1 10.8 73.5 40 40 A Y H <> S+ 0 0 149 -3,-1.2 4,-2.6 -4,-0.3 5,-0.3 0.854 83.0 56.8 -52.5 -46.8 -1.8 7.8 72.9 41 41 A K H <> S+ 0 0 182 -3,-0.5 4,-2.1 -4,-0.5 -1,-0.2 0.963 113.9 36.5 -57.6 -55.8 -3.6 6.5 69.8 42 42 A A H > S+ 0 0 13 -4,-0.5 4,-3.0 -9,-0.3 5,-0.2 0.923 116.1 53.7 -65.5 -40.5 -3.2 9.7 67.7 43 43 A Q H X S+ 0 0 48 -4,-2.2 4,-2.2 -10,-0.2 -1,-0.2 0.902 111.8 44.6 -67.5 -31.8 0.2 10.6 69.1 44 44 A E H X S+ 0 0 106 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.854 111.9 52.8 -77.8 -32.6 1.7 7.2 68.2 45 45 A A H X S+ 0 0 32 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.940 110.8 48.0 -65.7 -41.3 -0.0 7.3 64.8 46 46 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.954 107.4 55.6 -59.9 -49.4 1.6 10.7 64.2 47 47 A A H X S+ 0 0 15 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.875 107.6 49.7 -53.2 -38.2 5.0 9.5 65.3 48 48 A K H X S+ 0 0 128 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.936 110.4 48.5 -70.7 -41.0 4.9 6.7 62.8 49 49 A E H < S+ 0 0 79 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.891 112.7 50.2 -63.9 -34.8 4.0 9.0 59.9 50 50 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.820 101.3 60.1 -72.8 -30.6 6.7 11.4 60.9 51 51 A A H 3< S+ 0 0 47 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.719 96.8 62.9 -72.6 -20.8 9.5 8.7 61.1 52 52 A A T 3< S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.550 80.1 113.4 -77.3 -3.4 8.8 8.0 57.4 53 53 A L S X S- 0 0 26 -3,-1.6 3,-1.9 1,-0.1 4,-0.3 -0.431 78.2-121.1 -70.6 145.2 9.9 11.6 56.7 54 54 A P G > S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.861 110.9 59.2 -52.6 -37.5 13.2 11.9 54.7 55 55 A Q G 3 S+ 0 0 54 1,-0.3 -4,-0.1 -37,-0.1 382,-0.1 0.715 108.9 45.6 -69.1 -15.2 14.9 14.0 57.3 56 56 A F G < S+ 0 0 48 -3,-1.9 2,-1.0 -6,-0.2 -1,-0.3 0.275 87.8 90.5-107.8 5.4 14.4 11.1 59.8 57 57 A L < 0 0 111 -3,-1.7 -1,-0.1 -4,-0.3 -5,-0.0 -0.646 360.0 360.0-100.0 74.8 15.5 8.3 57.5 58 58 A G 0 0 124 -2,-1.0 -2,-0.1 -3,-0.0 -1,-0.1 0.583 360.0 360.0-103.0 360.0 19.2 8.5 58.5 59 ! 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 60 66 A A 0 0 155 0, 0.0 2,-0.1 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 103.3 14.6 8.1 67.7 61 67 A F - 0 0 71 1,-0.1 2,-0.4 2,-0.0 3,-0.1 -0.119 360.0 -92.1 -91.7-173.0 13.1 11.1 69.5 62 68 A S > - 0 0 40 1,-0.1 4,-1.6 -2,-0.1 3,-0.5 -0.903 23.9-128.7-106.4 141.8 9.9 11.6 71.5 63 69 A T H > S+ 0 0 21 -2,-0.4 4,-2.7 1,-0.2 3,-0.4 0.914 112.0 56.4 -48.1 -48.2 6.8 12.9 69.8 64 70 A R H > S+ 0 0 178 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 104.4 54.2 -55.7 -35.8 6.5 15.5 72.6 65 71 A D H 4 S+ 0 0 67 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.8 42.8 -70.9 -35.5 10.0 16.6 71.7 66 72 A R H X S+ 0 0 21 -4,-1.6 4,-0.6 -3,-0.4 -1,-0.2 0.871 115.8 49.2 -75.7 -36.2 9.2 17.3 68.0 67 73 A V H >X S+ 0 0 4 -4,-2.7 4,-1.7 -5,-0.2 3,-0.6 0.839 92.4 79.0 -72.9 -26.2 5.9 18.9 68.8 68 74 A A H 3X S+ 0 0 33 -4,-1.8 4,-2.9 1,-0.3 -1,-0.2 0.848 92.5 46.7 -56.4 -47.2 7.2 21.3 71.4 69 75 A P H 3> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.841 107.6 59.2 -62.6 -31.8 8.7 23.9 69.1 70 76 A M H <<>S+ 0 0 0 -4,-0.6 5,-2.3 -3,-0.6 6,-1.5 0.872 111.8 40.9 -65.7 -32.5 5.5 23.8 67.0 71 77 A K H ><5S+ 0 0 52 -4,-1.7 3,-1.8 4,-0.2 -1,-0.2 0.935 112.9 52.7 -72.6 -47.8 3.7 24.9 70.2 72 78 A T H 3<5S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.1 0.856 111.4 46.5 -59.6 -35.3 6.3 27.4 71.3 73 79 A Y T 3<5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.318 118.6-109.4 -92.8 11.6 6.2 29.2 67.9 74 80 A G T < 5S+ 0 0 0 -3,-1.8 16,-0.4 2,-0.2 15,-0.3 0.757 82.9 119.0 80.5 24.0 2.4 29.3 67.8 75 81 A F S - 0 0 12 4,-2.5 3,-1.9 -2,-0.5 6,-0.0 -0.098 28.8 -96.9 -80.1-177.4 -7.6 23.0 73.4 80 86 A E T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.759 124.2 57.6 -76.1 -14.3 -9.2 22.7 76.8 81 87 A E T 3 S- 0 0 112 2,-0.1 -1,-0.3 -48,-0.0 -46,-0.1 0.498 121.7-106.5 -90.4 2.0 -11.3 19.8 75.7 82 88 A G S < S+ 0 0 0 -3,-1.9 -48,-3.2 1,-0.3 -47,-0.3 0.582 73.3 133.8 93.7 7.1 -8.1 17.9 74.8 83 89 A Y B -A 33 0A 91 -50,-0.2 -4,-2.5 -49,-0.1 2,-0.3 -0.714 58.9-112.1 -97.6 144.1 -8.1 18.0 71.0 84 90 A L E -B 78 0B 0 -52,-2.9 -53,-2.9 -2,-0.3 2,-0.4 -0.500 38.4-170.3 -67.2 130.4 -5.2 19.0 68.8 85 91 A R E -B 77 0B 69 -8,-3.0 -8,-2.0 -2,-0.3 2,-0.5 -0.937 16.6-145.2-126.5 151.0 -5.7 22.3 67.0 86 92 A I E -B 76 0B 10 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.951 19.8-139.5-113.8 127.8 -3.8 24.0 64.2 87 93 A T > - 0 0 8 -12,-2.1 4,-2.7 -2,-0.5 5,-0.2 -0.281 28.2-104.9 -79.5 170.5 -3.5 27.8 64.2 88 94 A E H > S+ 0 0 104 189,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 125.8 52.0 -62.2 -37.5 -3.8 30.0 61.2 89 95 A A H > S+ 0 0 0 188,-2.4 4,-2.2 -15,-0.3 -1,-0.2 0.902 109.9 48.8 -59.7 -41.1 -0.1 30.5 61.4 90 96 A G H > S+ 0 0 0 -16,-0.4 4,-2.4 -15,-0.2 -2,-0.2 0.898 110.3 51.8 -68.3 -37.6 0.4 26.7 61.5 91 97 A K H X S+ 0 0 75 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.915 109.3 49.5 -62.7 -44.6 -2.0 26.3 58.5 92 98 A M H <>S+ 0 0 22 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.922 113.6 45.2 -62.0 -45.0 -0.0 28.9 56.4 93 99 A L H ><5S+ 0 0 1 -4,-2.2 3,-2.0 3,-0.2 -1,-0.2 0.912 108.6 55.9 -70.0 -36.1 3.3 27.2 57.1 94 100 A A H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.909 110.7 46.5 -57.8 -39.3 1.9 23.7 56.5 95 101 A N T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.262 113.9-122.7 -82.8 7.7 0.8 25.0 53.0 96 102 A N T < 5 + 0 0 92 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.773 54.1 159.1 53.3 32.0 4.2 26.6 52.5 97 103 A R S > S+ 0 0 22 -2,-0.6 4,-2.2 1,-0.1 3,-1.0 0.838 78.5 179.5 43.1 51.7 5.3 32.9 52.6 99 105 A P H 3> S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.824 72.4 51.4 -57.9 -39.4 7.2 30.8 55.2 100 106 A K H 3> S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.823 112.8 48.3 -68.1 -28.8 9.9 33.2 56.2 101 107 A D H <> S+ 0 0 45 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.813 109.0 52.4 -76.3 -40.4 7.3 35.9 56.8 102 108 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.959 112.0 46.7 -60.2 -48.2 5.2 33.5 58.9 103 109 A F H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.887 109.8 54.3 -60.3 -40.1 8.3 32.8 61.0 104 110 A L H X S+ 0 0 9 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.951 112.2 42.9 -57.9 -50.7 9.1 36.6 61.2 105 111 A K H X S+ 0 0 12 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.890 115.8 48.1 -69.0 -36.7 5.7 37.4 62.6 106 112 A Q H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.937 114.3 45.5 -66.4 -45.9 5.6 34.4 65.0 107 113 A L H < S+ 0 0 0 -4,-2.9 25,-0.5 1,-0.2 26,-0.3 0.758 109.7 55.3 -74.5 -22.1 9.1 35.1 66.4 108 114 A V H < S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.868 113.2 41.6 -71.8 -35.8 8.3 38.7 66.8 109 115 A K H < S+ 0 0 1 -4,-1.5 -2,-0.2 172,-0.2 -1,-0.2 0.735 88.2 119.1 -77.6 -26.2 5.3 37.9 68.9 110 116 A W < + 0 0 1 -4,-1.6 2,-0.3 -5,-0.1 22,-0.3 -0.192 43.4 164.6 -48.5 125.1 7.2 35.2 70.7 111 117 A Q - 0 0 0 19,-0.2 19,-0.2 20,-0.1 6,-0.2 -0.917 34.5-105.4-143.2 165.7 7.3 36.0 74.4 112 118 A Y B S+C 129 0C 0 17,-2.0 17,-2.4 -2,-0.3 2,-0.2 -0.985 101.0 41.3-129.7 127.5 8.0 34.8 78.0 113 119 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.663 87.4 145.9 -72.7 164.8 5.8 34.3 79.8 114 120 A S - 0 0 5 3,-2.0 152,-0.1 -2,-0.2 8,-0.1 -0.842 66.4 -80.2-147.1-174.9 3.5 32.6 77.4 115 121 A F S S+ 0 0 45 -2,-0.3 3,-0.2 1,-0.2 154,-0.1 0.919 132.7 40.6 -60.6 -38.5 0.9 29.8 77.3 116 122 A Q S S+ 0 0 66 1,-0.2 2,-0.5 -45,-0.1 -1,-0.2 0.818 122.4 40.0 -76.3 -29.4 3.7 27.3 77.2 117 123 A H S S+ 0 0 17 -6,-0.2 -3,-2.0 -45,-0.1 2,-0.3 -0.819 88.0 110.7-125.9 87.8 6.0 29.0 79.6 118 124 A K > + 0 0 67 -2,-0.5 3,-0.5 -3,-0.2 2,-0.2 -0.899 42.0 36.4-148.6 176.7 4.2 30.5 82.6 119 125 A G T 3 S- 0 0 47 3,-0.5 3,-0.5 -2,-0.3 5,-0.0 -0.500 109.3 -4.6 85.8-149.2 3.5 30.2 86.3 120 126 A K T 3 S+ 0 0 193 1,-0.3 -1,-0.2 -2,-0.2 -118,-0.1 0.858 136.4 48.4 -52.4 -48.3 5.9 29.3 89.1 121 127 A E S < S+ 0 0 77 -3,-0.5 -117,-1.9 1,-0.2 -1,-0.3 0.755 121.4 35.6 -65.5 -31.5 8.7 28.5 86.6 122 128 A Y S S- 0 0 5 -3,-0.5 -3,-0.5 -119,-0.2 -1,-0.2 -0.500 78.5-177.2-129.8 64.9 8.2 31.8 84.7 123 129 A P >> - 0 0 20 0, 0.0 4,-3.5 0, 0.0 3,-1.7 -0.346 32.0-131.8 -64.7 139.0 7.2 34.6 87.2 124 130 A E T 34 S+ 0 0 94 1,-0.3 -12,-0.0 2,-0.2 -6,-0.0 0.693 104.1 71.2 -63.3 -17.4 6.4 38.0 85.8 125 131 A E T 34 S+ 0 0 175 1,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.797 118.7 17.4 -68.5 -29.0 8.7 39.4 88.5 126 132 A E T <4 S+ 0 0 41 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.703 120.1 67.8-110.1 -33.8 11.6 38.0 86.5 127 133 A W < + 0 0 0 -4,-3.5 32,-0.2 32,-0.1 -1,-0.2 -0.835 41.0 122.8-107.9 124.9 10.2 37.3 83.1 128 134 A S B +d 159 0D 28 30,-2.4 32,-3.1 -2,-0.5 2,-0.3 -0.384 40.7 131.6-165.6 82.0 8.9 39.8 80.5 129 135 A I B -C 112 0C 0 -17,-2.4 -17,-2.0 30,-0.3 3,-0.1 -0.998 49.3-155.9-145.5 145.7 10.8 39.4 77.2 130 136 A N > - 0 0 2 -2,-0.3 4,-2.8 -19,-0.2 5,-0.2 -0.971 28.4-157.9-104.0 94.0 10.4 39.1 73.4 131 137 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.873 86.1 47.2 -53.5 -42.7 13.7 37.2 72.8 132 138 A L H > S+ 0 0 0 -25,-0.5 4,-2.4 -22,-0.3 5,-0.2 0.935 115.3 45.8 -66.5 -38.8 14.0 38.1 69.1 133 139 A V H > S+ 0 0 7 -26,-0.3 4,-2.8 -23,-0.3 -1,-0.2 0.929 107.8 57.0 -72.7 -35.9 13.2 41.8 69.7 134 140 A F H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.957 109.2 47.7 -51.9 -50.4 15.6 41.9 72.7 135 141 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.899 108.8 52.6 -66.3 -38.2 18.3 40.8 70.3 136 142 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.945 112.9 45.6 -57.6 -45.4 17.4 43.3 67.7 137 143 A S H X S+ 0 0 28 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.899 111.6 51.3 -67.0 -38.5 17.6 46.1 70.3 138 144 A L H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-1.2 0.894 105.5 55.6 -62.0 -44.6 20.9 44.8 71.7 139 145 A L H 3X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.834 98.1 62.3 -62.7 -29.1 22.5 44.7 68.2 140 146 A K H 3< S+ 0 0 111 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.812 114.1 37.4 -61.9 -27.9 21.6 48.4 67.8 141 147 A K H << S+ 0 0 114 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.890 128.4 28.4 -90.1 -43.3 23.9 48.8 70.8 142 148 A V H < S- 0 0 9 -4,-2.8 2,-2.4 1,-0.1 -3,-0.2 0.366 87.0-138.2-110.7 9.8 26.7 46.3 70.2 143 149 A G S < S+ 0 0 42 -4,-2.1 102,-0.5 -5,-0.3 2,-0.3 -0.229 73.1 14.0 72.5 -51.8 26.8 46.0 66.4 144 150 A G - 0 0 1 -2,-2.4 2,-0.4 100,-0.1 100,-0.2 -0.993 56.4-151.5-156.5 159.9 27.2 42.2 66.3 145 151 A L B -E 243 0E 0 98,-1.7 98,-3.9 -2,-0.3 2,-0.1 -0.993 10.2-150.1-136.1 122.7 27.1 39.0 68.2 146 152 A S > - 0 0 20 -2,-0.4 4,-1.6 96,-0.3 96,-0.2 -0.454 39.5-103.2 -79.1 168.2 29.0 35.8 67.7 147 153 A K H > S+ 0 0 66 94,-0.4 4,-2.5 1,-0.2 5,-0.1 0.828 126.6 53.6 -60.1 -39.2 27.3 32.5 68.7 148 154 A L H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 105.1 53.7 -62.9 -40.0 29.4 32.5 71.8 149 155 A D H >>S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.864 110.2 48.2 -58.4 -39.5 28.2 36.1 72.7 150 156 A I H X>S+ 0 0 1 -4,-1.6 5,-1.5 1,-0.2 4,-1.4 0.916 111.8 48.6 -69.2 -43.4 24.6 34.9 72.4 151 157 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 118.0 40.9 -61.9 -37.3 25.4 31.9 74.6 152 158 A M H <5S+ 0 0 1 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.795 133.0 11.9 -83.1 -35.1 27.1 34.0 77.3 153 159 A F H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.727 120.5 48.1-120.2 -26.6 24.9 37.1 77.4 154 160 A C T >< S-d 128 0D 32 -32,-0.2 3,-2.1 1,-0.1 -30,-0.3 -0.998 70.0-134.4-139.1 135.2 13.4 40.9 80.6 160 166 A N G > S+ 0 0 46 -32,-3.1 3,-1.1 -2,-0.4 -31,-0.1 0.707 103.6 67.4 -49.0 -29.4 13.1 43.4 77.7 161 167 A N G 3 S+ 0 0 122 -33,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.560 82.6 75.6 -78.1 -2.5 14.4 46.1 80.0 162 168 A Q G <> + 0 0 33 -3,-2.1 4,-2.5 1,-0.2 5,-0.3 0.432 61.8 101.5 -85.5 4.8 17.8 44.6 80.3 163 169 A V H <> S+ 0 0 17 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.956 84.3 43.8 -53.3 -58.9 19.1 45.6 76.8 164 170 A D H > S+ 0 0 97 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 0.914 114.2 50.3 -53.3 -46.5 21.2 48.6 78.0 165 171 A E H > S+ 0 0 99 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.939 114.9 41.6 -63.3 -41.9 22.7 46.7 81.0 166 172 A I H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.901 113.3 54.9 -74.7 -31.9 23.7 43.7 78.9 167 173 A A H >X S+ 0 0 2 -4,-2.9 4,-2.0 -5,-0.3 3,-0.7 0.969 110.0 46.7 -56.5 -53.9 25.0 46.0 76.1 168 174 A E H 3X S+ 0 0 125 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.913 112.3 51.2 -56.0 -40.2 27.1 47.8 78.7 169 175 A E H 3X S+ 0 0 44 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.3 0.759 107.1 52.0 -74.2 -19.6 28.4 44.5 80.0 170 176 A I H X S+ 0 0 61 -4,-2.0 3,-1.2 1,-0.2 4,-1.1 0.990 110.0 54.9 -68.7 -52.5 38.9 44.0 78.9 177 183 A R H >< S+ 0 0 69 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.836 103.2 57.2 -49.1 -38.2 39.5 41.0 76.6 178 184 A E H 3< S+ 0 0 115 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.931 101.8 56.6 -62.7 -37.9 41.3 43.2 74.2 179 185 A K H << S+ 0 0 139 -4,-1.2 2,-0.7 -3,-1.2 -1,-0.2 0.801 82.7 96.9 -64.4 -25.5 43.7 44.2 77.0 180 186 A I S << S- 0 0 46 -4,-1.1 2,-0.3 -3,-0.5 6,-0.2 -0.508 73.4-145.0 -67.6 112.8 44.6 40.5 77.5 181 187 A K + 0 0 140 -2,-0.7 4,-0.1 4,-0.1 -2,-0.1 -0.602 64.7 49.6 -78.7 137.2 47.8 40.1 75.5 182 188 A G S > S- 0 0 41 -2,-0.3 4,-2.4 3,-0.1 5,-0.1 0.416 76.4-122.5 103.7 119.0 48.2 36.7 73.9 183 189 A Q H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.904 115.3 46.2 -59.0 -41.2 45.6 35.0 71.7 184 190 A N H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 109.3 54.4 -67.8 -41.6 45.5 32.0 74.0 185 191 A K H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 106.9 53.1 -52.8 -45.1 45.4 34.2 77.0 186 192 A K H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.851 106.2 52.6 -59.4 -44.4 42.3 35.8 75.4 187 193 A L H X S+ 0 0 84 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.889 111.8 45.5 -55.9 -47.4 40.6 32.4 75.0 188 194 A E H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.906 111.9 50.2 -68.0 -44.1 41.1 31.5 78.7 189 195 A F H X S+ 0 0 54 -4,-2.4 4,-3.4 2,-0.2 3,-0.3 0.982 113.8 47.1 -54.1 -59.7 40.0 34.9 80.0 190 196 A T H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.921 112.5 48.2 -43.0 -59.8 36.9 34.5 77.8 191 197 A E H X S+ 0 0 73 -4,-2.9 4,-2.4 1,-0.2 -1,-0.3 0.839 114.5 46.5 -59.1 -31.0 36.2 31.0 78.9 192 198 A N H X S+ 0 0 74 -4,-2.2 4,-2.8 -3,-0.3 -1,-0.2 0.894 107.9 54.1 -82.9 -33.7 36.6 31.9 82.5 193 199 A Y H X S+ 0 0 55 -4,-3.4 4,-2.2 2,-0.2 -2,-0.2 0.867 111.9 48.8 -57.2 -37.5 34.5 35.0 82.3 194 200 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.919 110.6 49.2 -70.4 -48.8 31.9 32.5 80.9 195 201 A F H X S+ 0 0 41 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.915 113.8 45.8 -54.4 -45.3 32.4 30.1 83.7 196 202 A K H X S+ 0 0 103 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.974 111.0 51.0 -70.3 -46.2 32.0 32.8 86.3 197 203 A R H X S+ 0 0 32 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.905 112.5 45.3 -53.1 -48.1 28.9 34.4 84.8 198 204 A F H X S+ 0 0 0 -4,-2.1 4,-4.3 1,-0.2 -1,-0.2 0.792 108.7 60.8 -70.4 -27.5 27.0 31.2 84.6 199 205 A E H < S+ 0 0 59 -4,-1.5 4,-0.3 -3,-0.2 -2,-0.2 0.943 106.1 43.1 -60.6 -57.4 28.2 30.4 88.1 200 206 A K H < S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 121.4 45.2 -60.8 -23.0 26.5 33.4 89.6 201 207 A I H < S+ 0 0 45 -4,-1.2 3,-0.4 -5,-0.3 -2,-0.2 0.872 120.3 33.5 -93.6 -41.3 23.5 32.6 87.4 202 208 A Y S < S+ 0 0 39 -4,-4.3 -1,-0.2 1,-0.2 -2,-0.2 0.144 77.6 128.7 -97.7 21.9 23.1 28.8 87.8 203 209 A G + 0 0 49 -4,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 0.696 49.7 105.0 -44.8 -16.8 24.3 29.3 91.4 204 210 A N 0 0 55 -3,-0.4 -2,-0.1 1,-0.1 -202,-0.0 0.212 360.0 360.0 -50.8-172.1 21.1 27.3 91.9 205 211 A V 0 0 185 -204,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.157 360.0 360.0 175.9 360.0 21.3 23.7 92.9 206 ! 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 0.0 207 222 A S >> 0 0 96 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 95.9 30.9 17.8 90.2 208 223 A H H >>> + 0 0 110 1,-0.3 3,-5.0 2,-0.2 4,-1.3 0.865 360.0 47.0 -28.5 -80.5 30.1 21.6 90.2 209 224 A K H 3>5S+ 0 0 122 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.802 110.6 54.6 -39.4 -39.5 32.5 22.5 87.4 210 225 A S H <>5S+ 0 0 53 -3,-0.9 4,-0.7 1,-0.2 -1,-0.3 0.756 109.4 50.6 -64.9 -23.5 31.0 19.5 85.4 211 226 A K H XX5S+ 0 0 121 -3,-5.0 4,-1.7 -4,-1.5 3,-0.8 0.952 111.9 39.6 -84.4 -55.3 27.6 21.0 86.0 212 227 A I H 3X5S+ 0 0 8 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.755 110.1 63.3 -69.7 -15.7 28.0 24.6 84.9 213 228 A E H 3X<>S+ 0 0 0 -4,-2.4 6,-0.8 -5,-0.3 5,-0.6 0.905 111.2 49.9 -74.3 -40.8 16.7 34.5 63.4 231 246 A R H ><5S+ 0 0 5 -4,-2.4 3,-1.8 -5,-0.3 196,-0.4 0.894 102.0 64.9 -63.8 -32.1 18.6 34.6 60.1 232 247 A Y H 3<5S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 95.3 57.9 -59.7 -32.0 15.6 32.8 58.5 233 248 A T T <<5S- 0 0 6 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.672 106.6-129.0 -71.3 -16.5 13.4 35.7 59.2 234 249 A G T < 5S+ 0 0 5 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.346 85.7 104.3 83.4 -3.0 15.6 38.0 57.2 235 250 A L S S-F 242 0E 137 3,-2.7 3,-2.0 -2,-0.4 2,-0.1 -0.959 72.8 -48.5-124.5 106.4 28.8 39.4 58.8 240 255 A G T 3 S- 0 0 34 -2,-0.4 155,-0.6 1,-0.2 153,-0.2 -0.427 122.5 -24.2 58.3-134.7 31.8 37.2 59.2 241 256 A N T 3 S+ 0 0 58 151,-0.5 -94,-0.4 153,-0.3 2,-0.4 0.252 121.7 96.0 -91.9 17.0 31.2 35.1 62.3 242 257 A Q E < S- F 0 239E 40 -3,-2.0 -3,-2.7 -96,-0.2 2,-0.5 -0.883 70.8-132.0-111.6 136.9 28.8 37.7 63.8 243 258 A L E +EF 145 238E 0 -98,-3.9 -98,-1.7 -2,-0.4 2,-0.3 -0.674 41.1 169.0 -74.4 127.4 25.0 37.9 63.7 244 259 A V E - F 0 237E 12 -7,-2.9 -7,-2.5 -2,-0.5 2,-0.2 -0.914 39.2 -84.7-135.6 165.8 24.2 41.5 62.7 245 260 A L E - F 0 236E 38 -102,-0.5 -9,-0.3 -2,-0.3 -10,-0.1 -0.487 46.8-108.3 -68.5 141.2 21.1 43.4 61.7 246 261 A N > - 0 0 1 -11,-2.6 3,-2.2 -2,-0.2 7,-0.2 -0.618 23.9-147.7 -67.3 110.6 20.1 43.3 58.0 247 262 A P G > S+ 0 0 82 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.733 94.7 59.1 -55.6 -24.7 20.9 46.8 56.7 248 263 A E G 3 S+ 0 0 101 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.464 101.3 54.9 -85.4 1.0 18.0 46.6 54.2 249 264 A K G <> + 0 0 31 -3,-2.2 4,-3.0 -14,-0.1 5,-0.3 0.070 66.8 124.1-117.0 25.1 15.4 46.1 56.9 250 265 A S H <> S+ 0 0 65 -3,-0.7 4,-2.3 1,-0.2 5,-0.2 0.907 76.2 43.9 -56.3 -45.3 16.1 49.1 59.1 251 266 A D H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 114.6 49.1 -71.2 -35.5 12.6 50.6 59.0 252 267 A L H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 111.5 50.3 -65.1 -44.9 10.9 47.3 59.6 253 268 A I H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.915 108.6 53.2 -59.7 -38.8 13.3 46.6 62.5 254 269 A D H X S+ 0 0 73 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.927 110.3 46.5 -63.2 -43.6 12.5 50.1 64.0 255 270 A E H X S+ 0 0 43 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.904 110.0 54.3 -67.4 -37.0 8.8 49.4 63.9 256 271 A I H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.951 111.3 44.4 -62.2 -45.7 9.2 45.9 65.4 257 272 A I H < S+ 0 0 53 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.940 115.5 49.9 -60.9 -42.3 11.1 47.4 68.3 258 273 A S H < S+ 0 0 102 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.854 119.6 32.5 -67.3 -39.5 8.6 50.2 68.7 259 274 A S H < S+ 0 0 51 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.437 89.2 117.2-104.9 2.2 5.4 48.1 68.6 260 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0 0 60 3,-0.1 -2,-0.0 -175,-0.0 -3,-0.0 0.632 86.3 122.6 -83.1 -10.1 -1.5 38.7 60.4 281 296 A L < + 0 0 56 -3,-1.9 -172,-0.2 -6,-0.2 2,-0.2 -0.837 55.9 37.0-104.1 141.3 -0.4 40.0 63.8 282 297 A P S S- 0 0 17 0, 0.0 2,-0.7 0, 0.0 -173,-0.0 0.610 84.4-150.3 -70.9 155.3 1.3 42.2 64.4 283 298 A Q - 0 0 132 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.869 16.2-143.0 -93.7 116.4 -0.1 44.4 61.6 284 299 A F > - 0 0 7 -2,-0.7 3,-2.1 1,-0.1 -32,-0.0 -0.525 20.6-110.1 -82.9 154.2 2.7 46.7 60.4 285 300 A S T 3 S+ 0 0 70 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.765 116.2 49.9 -49.0 -40.7 2.1 50.3 59.4 286 301 A F T 3 S+ 0 0 49 1,-0.2 2,-0.9 5,-0.1 -1,-0.3 0.345 79.4 101.5 -87.8 5.3 2.8 49.6 55.7 287 302 A E < + 0 0 25 -3,-2.1 2,-0.3 4,-0.1 -1,-0.2 -0.281 55.7 107.9 -91.8 50.4 0.5 46.6 55.4 288 303 A T S > S- 0 0 43 -2,-0.9 4,-2.8 1,-0.1 5,-0.3 -0.841 84.0-110.8-110.6 159.1 -2.2 48.5 53.7 289 304 A K H > S+ 0 0 99 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.938 118.9 50.1 -51.3 -50.9 -3.1 48.1 50.0 290 305 A E H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 116.2 39.0 -57.2 -46.5 -1.8 51.6 49.3 291 306 A Q H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.789 112.1 56.3 -84.6 -21.2 1.6 51.1 51.0 292 307 A L H X S+ 0 0 5 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.875 104.3 54.3 -73.6 -34.3 2.0 47.5 49.9 293 308 A L H X S+ 0 0 46 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.961 109.8 48.3 -57.4 -46.2 1.7 48.8 46.3 294 309 A D H X S+ 0 0 88 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.914 112.6 47.3 -61.1 -42.5 4.5 51.2 47.1 295 310 A L H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.934 111.2 51.0 -64.7 -44.3 6.6 48.5 48.7 296 311 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.923 112.1 47.7 -57.4 -41.0 6.0 46.2 45.7 297 312 A H H X S+ 0 0 96 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.859 108.5 54.3 -70.7 -34.5 7.1 49.0 43.3 298 313 A R H X S+ 0 0 127 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.0 46.6 -65.0 -42.1 10.2 49.8 45.3 299 314 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.896 109.5 54.9 -68.5 -37.2 11.3 46.2 45.1 300 315 A R H X S+ 0 0 54 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.951 109.2 47.4 -59.0 -45.5 10.6 46.1 41.4 301 316 A D H X S+ 0 0 81 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.913 111.0 51.2 -64.3 -40.8 12.8 49.2 40.9 302 317 A E H X S+ 0 0 71 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.926 112.6 46.0 -58.8 -43.5 15.6 47.7 43.0 303 318 A N H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.920 112.7 50.1 -65.8 -44.1 15.4 44.5 41.0 304 319 A T H X S+ 0 0 43 -4,-2.7 4,-3.4 -5,-0.2 5,-0.3 0.953 108.8 51.7 -56.7 -52.5 15.3 46.4 37.7 305 320 A R H X S+ 0 0 140 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.912 112.7 47.5 -50.4 -45.3 18.3 48.5 38.7 306 321 A L H X S+ 0 0 20 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.941 114.0 44.2 -63.3 -50.4 20.2 45.3 39.5 307 322 A A H >X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 3,-1.5 0.977 112.5 51.8 -62.1 -51.2 19.4 43.4 36.3 308 323 A E H 3< S+ 0 0 136 -4,-3.4 4,-0.4 1,-0.3 -1,-0.2 0.835 107.3 53.4 -59.6 -32.9 20.0 46.4 34.1 309 324 A Q H 3< S+ 0 0 132 -4,-1.9 -1,-0.3 -5,-0.3 4,-0.3 0.787 119.7 34.9 -67.5 -23.8 23.5 46.9 35.6 310 325 A L H < + 0 0 16 -4,-3.0 3,-2.0 1,-0.1 -1,-0.2 -0.657 59.6 170.0-130.9 77.4 26.0 38.9 32.1 315 330 A P G > + 0 0 79 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.689 65.1 84.5 -66.5 -12.8 23.0 38.1 29.9 316 331 A N G > S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.688 73.1 77.3 -63.1 -9.0 22.1 35.1 32.1 317 332 A V G X> + 0 0 0 -3,-2.0 4,-2.2 1,-0.3 3,-0.5 0.672 69.0 85.7 -72.2 -7.5 20.2 37.6 34.3 318 333 A K H <> S+ 0 0 98 -3,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.811 78.5 67.6 -62.4 -20.3 17.6 37.5 31.6 319 334 A V H <> S+ 0 0 42 -3,-1.5 4,-1.6 -4,-0.2 -1,-0.2 0.942 104.9 38.4 -58.7 -50.3 16.3 34.5 33.6 320 335 A E H <> S+ 0 0 4 -3,-0.5 4,-2.9 -4,-0.4 5,-0.2 0.870 109.6 62.1 -75.0 -32.4 15.3 36.7 36.6 321 336 A I H X S+ 0 0 71 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.935 107.0 44.8 -57.3 -40.4 14.0 39.5 34.4 322 337 A Q H X S+ 0 0 103 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.929 111.9 50.0 -73.4 -39.4 11.4 37.2 32.9 323 338 A V H X S+ 0 0 56 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.923 108.3 56.7 -58.5 -39.8 10.4 35.7 36.3 324 339 A L H X S+ 0 0 7 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.920 106.6 48.3 -57.4 -43.6 10.1 39.3 37.4 325 340 A E H X S+ 0 0 77 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.945 110.9 50.5 -66.2 -40.4 7.7 40.0 34.7 326 341 A D H X S+ 0 0 86 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.936 109.8 50.0 -64.5 -42.8 5.6 36.9 35.5 327 342 A I H >< S+ 0 0 22 -4,-3.1 3,-1.5 1,-0.2 4,-0.3 0.983 114.6 42.7 -57.7 -54.2 5.4 37.8 39.2 328 343 A Y H >< S+ 0 0 15 -4,-2.2 3,-1.5 1,-0.3 4,-0.5 0.773 96.6 75.3 -72.3 -20.2 4.2 41.4 38.6 329 344 A N H >X S+ 0 0 45 -4,-1.9 3,-1.0 1,-0.2 4,-0.7 0.759 83.5 71.3 -59.5 -18.8 1.8 40.5 35.8 330 345 A S H - 0 0 77 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.833 69.9 -97.4-126.0 169.7 -5.7 43.2 46.9 337 352 A V H > S+ 0 0 50 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.860 121.3 49.6 -57.3 -40.2 -3.6 42.9 50.1 338 353 A E H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 111.2 47.4 -67.4 -43.2 -3.1 39.2 49.8 339 354 A T H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 112.0 51.8 -65.0 -40.0 -2.0 39.3 46.2 340 355 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.905 107.3 52.1 -62.4 -40.5 0.4 42.1 47.0 341 356 A K H X S+ 0 0 34 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.929 111.2 47.4 -62.1 -40.9 1.9 40.2 49.8 342 357 A D H X S+ 0 0 53 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.936 112.2 48.6 -68.0 -41.9 2.6 37.2 47.6 343 358 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.935 112.6 49.2 -60.5 -45.8 4.1 39.4 44.8 344 359 A I H X S+ 0 0 10 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.897 110.4 50.6 -64.6 -37.6 6.3 41.1 47.4 345 360 A Y H X S+ 0 0 14 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.951 113.8 43.2 -62.2 -50.1 7.4 37.7 48.8 346 361 A H H X S+ 0 0 84 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.845 110.6 57.4 -64.2 -33.1 8.3 36.3 45.4 347 362 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.874 106.3 48.2 -67.0 -40.9 10.0 39.5 44.4 348 363 A K H X S+ 0 0 51 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.906 110.1 52.8 -64.7 -38.1 12.3 39.4 47.4 349 364 A E H X S+ 0 0 92 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.924 110.9 47.6 -61.9 -40.7 13.1 35.8 46.5 350 365 A L H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.858 104.9 58.6 -67.9 -34.6 14.0 36.9 43.0 351 366 A Q H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.898 104.0 52.8 -61.3 -35.4 16.1 39.7 44.2 352 367 A L H X S+ 0 0 17 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.916 107.1 52.0 -63.9 -40.0 18.2 37.1 46.1 353 368 A E H X S+ 0 0 40 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.881 109.2 50.2 -64.4 -39.0 18.5 35.3 42.8 354 369 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.928 105.6 56.3 -65.6 -39.2 19.7 38.5 41.2 355 370 A K H X S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.817 102.9 56.1 -61.5 -27.5 22.2 39.0 44.0 356 371 A K H < S+ 0 0 14 -4,-1.4 4,-0.4 2,-0.2 3,-0.3 0.918 109.6 44.4 -70.0 -37.7 23.7 35.6 43.2 357 372 A K H >X S+ 0 0 2 -4,-1.5 3,-1.5 1,-0.2 4,-0.7 0.861 104.6 64.4 -73.4 -30.0 24.3 36.7 39.5 358 373 A K H >X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.3 3,-0.5 0.851 89.0 68.3 -58.0 -31.5 25.7 40.0 40.8 359 374 A L H 3X S+ 0 0 23 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.3 0.835 88.8 65.3 -58.9 -26.7 28.5 38.0 42.4 360 375 A Q H <4 S+ 0 0 3 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.948 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32.8 514 529 A V H <5S+ 0 0 93 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.845 130.9 25.6 -92.0 -40.1 27.5 -0.0 34.4 515 530 A Q H < -j 497 0F 27 -2,-0.4 4,-2.9 -27,-0.2 5,-0.2 -0.225 27.7-114.3 -64.3 154.8 40.3 16.8 43.5 524 539 A L H > S+ 0 0 0 -27,-1.8 4,-3.1 1,-0.2 5,-0.2 0.903 121.5 56.1 -58.1 -34.0 40.0 20.1 45.3 525 540 A K H > S+ 0 0 141 -27,-0.3 4,-1.5 -28,-0.3 -1,-0.2 0.944 107.9 46.0 -64.1 -43.0 43.3 20.9 43.7 526 541 A Q H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.898 112.9 50.3 -65.1 -40.1 41.9 20.3 40.2 527 542 A F H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-0.3 0.958 108.8 51.2 -63.9 -42.7 38.8 22.3 41.0 528 543 A N H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.844 102.4 62.3 -64.3 -27.4 40.9 25.2 42.2 529 544 A M H X S+ 0 0 36 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.940 99.4 54.2 -59.8 -45.2 42.8 25.0 38.9 530 545 A L H X S+ 0 0 3 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.918 107.0 50.7 -54.6 -45.2 39.6 25.8 37.1 531 546 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.870 110.4 49.8 -62.7 -36.2 39.1 28.9 39.2 532 547 A M H X S+ 0 0 52 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.871 106.8 54.6 -72.2 -34.5 42.7 30.0 38.4 533 548 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.931 110.7 46.4 -62.9 -42.1 42.2 29.4 34.7 534 549 A Q H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.912 109.2 55.4 -65.6 -37.3 39.2 31.8 34.9 535 550 A K H X S+ 0 0 46 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.926 109.8 44.8 -61.9 -41.2 41.1 34.3 36.9 536 551 A K H X S+ 0 0 44 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.822 111.1 53.7 -70.7 -36.8 43.9 34.5 34.3 537 552 A L H ><>S+ 0 0 3 -4,-1.9 5,-3.2 1,-0.2 3,-0.9 0.925 107.9 49.8 -62.8 -44.4 41.4 34.7 31.4 538 553 A I H ><5S+ 0 0 31 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.865 104.5 59.6 -65.2 -31.6 39.7 37.7 33.1 539 554 A E H 3<5S+ 0 0 104 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.809 108.0 45.9 -59.1 -31.4 43.1 39.3 33.5 540 555 A K T <<5S- 0 0 99 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.097 125.7-100.3-101.2 16.5 43.4 39.2 29.7 541 556 A G T < 5S+ 0 0 76 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.581 92.4 101.0 68.7 15.4 39.9 40.5 29.1 542 557 A R < - 0 0 101 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.3 -0.654 46.2-173.9-114.4-178.0 38.5 37.0 28.4 543 558 A R - 0 0 85 -2,-0.2 -9,-0.1 -3,-0.1 -130,-0.1 -0.974 36.6 -79.4-163.7 163.5 36.4 34.5 30.3 544 559 A L - 0 0 1 -2,-0.3 2,-0.2 -131,-0.1 -129,-0.0 -0.313 44.0-140.1 -66.3 148.6 35.1 30.9 30.0 545 560 A S > - 0 0 45 1,-0.1 4,-1.6 -131,-0.0 5,-0.2 -0.564 26.3-105.8 -99.9 168.7 32.1 30.3 27.9 546 561 A S H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.935 124.4 53.9 -57.7 -40.6 29.1 28.0 28.4 547 562 A Y H > S+ 0 0 143 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.932 102.5 56.7 -58.9 -45.9 30.6 25.9 25.7 548 563 A D H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 109.7 44.5 -53.0 -41.6 33.9 25.7 27.5 549 564 A I H X S+ 0 0 9 -4,-1.6 4,-2.6 -3,-0.2 -1,-0.2 0.917 112.1 51.6 -74.6 -42.8 32.4 24.3 30.6 550 565 A K H X S+ 0 0 62 -4,-2.4 4,-3.6 1,-0.2 5,-0.2 0.936 108.9 51.8 -53.8 -45.3 30.2 21.8 28.7 551 566 A N H X S+ 0 0 48 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.867 108.3 50.6 -67.8 -37.3 33.3 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37.3 572 587 A A H X S+ 0 0 51 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.851 111.6 56.8 -71.5 -31.2 45.9 9.7 35.1 573 588 A G H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.914 105.1 50.8 -66.5 -40.8 43.5 10.0 32.1 574 589 A L H X S+ 0 0 5 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.919 110.1 49.4 -64.0 -37.3 41.4 12.5 34.0 575 590 A E H X S+ 0 0 72 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.7 50.4 -67.2 -37.5 44.5 14.6 34.7 576 591 A E H X S+ 0 0 127 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.968 111.0 46.6 -59.1 -54.9 45.5 14.4 31.1 577 592 A T H X S+ 0 0 21 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.914 113.2 51.2 -55.1 -43.8 42.1 15.5 29.8 578 593 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.956 108.8 49.4 -58.8 -51.0 42.1 18.3 32.3 579 594 A N H X S+ 0 0 76 -4,-2.7 4,-3.7 1,-0.2 5,-0.3 0.891 107.9 54.8 -60.1 -38.5 45.5 19.6 31.3 580 595 A N H X S+ 0 0 91 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.966 109.8 46.6 -55.1 -52.8 44.5 19.6 27.7 581 596 A W H X S+ 0 0 11 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.909 114.1 48.8 -56.6 -44.3 41.5 21.7 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