==== 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 15-OCT-09 3K93 . COMPND 2 MOLECULE: PHAGE RELATED EXONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS SOMNUS 129PT; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.1 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 2 2 0 0 1 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G > 0 0 79 0, 0.0 3,-2.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -55.1 35.5 45.0 7.7 2 1 A X G > + 0 0 117 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.911 360.0 66.5 -47.8 -46.3 33.8 45.7 11.1 3 2 A N G > S+ 0 0 33 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.608 81.2 73.1 -57.3 -16.0 30.9 46.5 8.8 4 3 A N G < S+ 0 0 141 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.326 90.0 62.9 -72.9 2.2 30.7 42.7 7.7 5 4 A L G < S+ 0 0 137 -3,-2.1 2,-0.5 -4,-0.0 -1,-0.2 0.275 92.2 75.8-101.9 3.0 29.2 42.2 11.2 6 5 A Y < + 0 0 46 -3,-1.3 2,-0.3 -4,-0.1 39,-0.0 -0.980 58.8 160.9-111.8 127.5 26.3 44.5 10.2 7 6 A H - 0 0 104 -2,-0.5 2,-0.5 2,-0.1 -3,-0.0 -0.972 30.9-132.3-148.9 127.5 23.7 42.8 7.9 8 7 A L + 0 0 6 -2,-0.3 2,-0.4 204,-0.1 204,-0.1 -0.725 25.0 169.6 -87.6 126.0 20.1 43.9 7.2 9 8 A K - 0 0 54 -2,-0.5 2,-0.4 203,-0.0 86,-0.3 -0.995 31.5-134.5-121.2 128.2 17.3 41.4 7.3 10 9 A V E -a 95 0A 2 84,-2.4 86,-1.5 -2,-0.4 5,-0.1 -0.716 15.3-122.3 -88.2 126.9 13.9 43.2 7.2 11 10 A R E >> -a 96 0A 107 -2,-0.4 3,-1.5 84,-0.2 4,-0.5 -0.367 20.4-123.2 -59.9 143.0 11.1 42.2 9.6 12 11 A C G >4 S+ 0 0 1 84,-2.2 3,-1.3 1,-0.3 4,-0.4 0.897 113.2 58.2 -55.7 -40.0 7.9 41.1 7.8 13 12 A S G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.660 109.4 44.3 -64.1 -16.9 6.1 43.8 9.9 14 13 A S G X> S+ 0 0 15 -3,-1.5 3,-0.9 1,-0.1 4,-0.5 0.366 82.4 98.1-107.1 2.7 8.3 46.5 8.5 15 14 A L H XX S+ 0 0 0 -3,-1.3 4,-1.3 -4,-0.5 3,-1.1 0.822 75.1 63.3 -62.6 -32.8 8.3 45.4 4.8 16 15 A H H 3> S+ 0 0 68 -4,-0.4 4,-0.5 1,-0.2 3,-0.3 0.872 95.1 62.8 -59.4 -32.0 5.6 47.9 3.9 17 16 A K H <4 S+ 0 0 50 -3,-0.9 23,-0.3 1,-0.2 -1,-0.2 0.793 117.3 25.9 -61.6 -28.1 8.1 50.7 4.9 18 17 A I H << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.447 100.5 85.5-118.5 0.3 10.6 49.7 2.1 19 18 A I H < + 0 0 28 -4,-1.3 -2,-0.1 -3,-0.3 -3,-0.1 0.672 62.0 112.5 -78.9 -20.0 8.3 48.0 -0.4 20 19 A G < - 0 0 30 -4,-0.5 14,-0.5 1,-0.1 17,-0.1 -0.149 57.2-141.3 -60.0 151.3 7.3 51.3 -2.2 21 20 A E - 0 0 85 12,-0.1 12,-0.1 1,-0.0 -1,-0.1 -0.847 21.1-102.1-115.3 146.5 8.4 51.8 -5.7 22 21 A P - 0 0 25 0, 0.0 6,-0.2 0, 0.0 12,-0.1 -0.344 30.6-121.8 -58.9 148.9 9.6 55.0 -7.4 23 22 A K S S+ 0 0 217 4,-0.1 2,-0.4 5,-0.0 3,-0.0 0.902 98.1 84.0 -59.8 -37.5 6.9 56.6 -9.6 24 23 A S S > S- 0 0 50 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.530 71.4-155.2 -68.4 119.2 9.5 56.2 -12.5 25 24 A K H > S+ 0 0 99 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.869 94.3 54.0 -64.3 -38.5 9.2 52.7 -13.9 26 25 A A H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.868 110.0 46.9 -62.7 -38.8 12.9 52.8 -15.1 27 26 A D H 4>S+ 0 0 71 2,-0.2 5,-2.5 1,-0.1 4,-0.3 0.881 109.7 54.5 -69.3 -37.6 14.1 53.8 -11.7 28 27 A K H ><5S+ 0 0 21 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.971 111.5 45.0 -57.7 -50.4 11.9 50.9 -10.2 29 28 A E H 3<5S+ 0 0 178 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 108.1 57.0 -65.2 -29.2 13.7 48.5 -12.5 30 29 A A T 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.457 117.0-115.8 -76.2 -3.7 17.1 50.0 -11.7 31 30 A G T < 5 + 0 0 29 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.2 0.776 54.7 165.0 73.4 27.3 16.4 49.2 -8.0 32 31 A K < - 0 0 118 -5,-2.5 2,-0.2 1,-0.1 -1,-0.2 -0.571 32.3-128.8 -74.6 141.2 16.3 52.8 -6.8 33 32 A L - 0 0 23 -2,-0.2 -12,-0.1 177,-0.1 2,-0.1 -0.616 16.3-118.0 -88.6 149.1 14.8 53.2 -3.4 34 33 A T > - 0 0 27 -14,-0.5 4,-2.4 -2,-0.2 5,-0.2 -0.385 29.1-109.4 -75.1 162.4 12.0 55.7 -2.6 35 34 A D H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 121.4 54.0 -59.9 -39.7 12.6 58.5 -0.0 36 35 A T H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 108.1 49.0 -57.0 -45.5 10.3 56.7 2.4 37 36 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 111.5 49.3 -63.8 -43.9 12.3 53.5 2.0 38 37 A K H X S+ 0 0 62 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.891 108.6 52.6 -62.7 -40.1 15.6 55.3 2.7 39 38 A S H X S+ 0 0 56 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.926 111.2 47.3 -62.8 -42.5 14.2 57.0 5.7 40 39 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 -23,-0.3 -2,-0.2 0.906 109.9 52.5 -64.4 -42.0 13.1 53.6 7.1 41 40 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.872 105.4 55.9 -65.0 -33.9 16.5 52.0 6.3 42 41 A R H X S+ 0 0 106 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.878 105.5 51.6 -63.2 -37.5 18.2 54.8 8.2 43 42 A E H X S+ 0 0 69 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.889 111.0 47.8 -65.9 -37.6 16.2 54.0 11.3 44 43 A X H X S+ 0 0 34 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.922 112.1 49.4 -67.5 -45.4 17.2 50.4 11.0 45 44 A A H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.927 111.5 49.0 -58.6 -45.2 20.9 51.5 10.5 46 45 A K H X S+ 0 0 115 -4,-2.7 4,-2.1 1,-0.2 6,-1.3 0.810 110.2 51.7 -69.0 -31.1 20.7 53.8 13.6 47 46 A F H X S+ 0 0 93 -4,-1.8 4,-2.4 4,-0.2 -1,-0.2 0.959 114.5 41.4 -64.6 -49.2 19.2 51.0 15.7 48 47 A D H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.834 123.2 39.7 -70.3 -33.8 21.9 48.5 14.8 49 48 A L H < S+ 0 0 34 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.869 135.7 13.8 -77.9 -41.4 24.7 51.1 15.1 50 49 A F H < S- 0 0 128 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.498 92.8-117.7-122.4 -5.7 23.5 53.0 18.2 51 50 A G < + 0 0 52 -4,-2.4 2,-0.7 -5,-0.4 -4,-0.2 0.640 61.5 149.0 75.1 15.8 20.8 51.0 19.9 52 51 A Y - 0 0 154 -6,-1.3 2,-0.7 -9,-0.1 -1,-0.2 -0.740 34.6-156.0 -91.0 116.1 18.3 53.8 19.2 53 52 A N - 0 0 70 -2,-0.7 3,-0.2 1,-0.2 -9,-0.1 -0.825 7.4-167.7 -95.9 111.2 14.8 52.3 18.8 54 53 A A S S+ 0 0 41 -2,-0.7 2,-0.8 1,-0.2 -1,-0.2 0.928 81.1 46.0 -63.6 -48.4 12.6 54.7 16.8 55 54 A F + 0 0 129 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.819 64.8 174.6-104.6 99.1 9.3 52.9 17.6 56 55 A E - 0 0 153 -2,-0.8 -1,-0.2 -3,-0.2 2,-0.1 0.884 42.5-111.9 -67.2 -42.1 9.1 52.1 21.3 57 56 A G - 0 0 47 4,-0.0 2,-0.2 5,-0.0 -1,-0.1 -0.220 34.8-164.0 107.4 151.2 5.6 50.7 21.5 58 57 A N > - 0 0 84 -2,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.743 46.1 -59.3-156.1-173.7 2.6 52.1 23.3 59 58 A K H > S+ 0 0 58 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.865 127.4 57.1 -57.4 -34.9 -0.9 51.3 24.6 60 59 A Y H > S+ 0 0 119 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.953 114.1 36.5 -61.1 -49.8 -2.1 50.2 21.1 61 60 A T H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.838 114.0 57.6 -73.5 -35.3 0.7 47.6 20.7 62 61 A Q H X S+ 0 0 74 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.879 100.9 57.8 -64.1 -33.5 0.5 46.6 24.4 63 62 A K H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.945 105.7 49.6 -60.1 -46.1 -3.3 45.8 24.0 64 63 A G H < S+ 0 0 21 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.854 110.8 50.5 -60.2 -36.4 -2.4 43.2 21.2 65 64 A N H >< S+ 0 0 92 -4,-1.6 3,-0.9 1,-0.2 4,-0.3 0.948 112.6 45.2 -68.3 -46.5 0.2 41.7 23.5 66 65 A E H 3< S+ 0 0 71 -4,-2.6 3,-0.3 1,-0.2 4,-0.2 0.831 120.2 39.1 -64.4 -32.6 -2.1 41.3 26.4 67 66 A L T 3X S+ 0 0 12 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.270 82.3 110.1-105.4 13.1 -5.0 39.9 24.4 68 67 A E H <> S+ 0 0 61 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.878 79.7 47.1 -58.0 -44.7 -2.9 37.8 22.1 69 68 A E H > S+ 0 0 91 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.943 112.7 48.6 -63.7 -52.1 -4.1 34.5 23.6 70 69 A Q H > S+ 0 0 103 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.853 109.9 53.7 -53.1 -40.5 -7.8 35.6 23.5 71 70 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.938 108.5 48.3 -62.0 -46.4 -7.3 36.6 19.8 72 71 A I H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.880 109.7 53.0 -64.6 -37.1 -5.9 33.2 18.9 73 72 A K H X S+ 0 0 84 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.917 109.9 47.7 -62.9 -42.7 -8.8 31.5 20.6 74 73 A L H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 109.3 53.7 -65.8 -39.4 -11.3 33.6 18.7 75 74 A S H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.910 112.5 46.6 -56.8 -41.9 -9.4 32.8 15.5 76 75 A G H >X>S+ 0 0 3 -4,-2.1 5,-2.4 2,-0.2 4,-0.7 0.927 112.4 44.9 -67.9 -50.5 -9.8 29.1 16.4 77 76 A V H ><5S+ 0 0 105 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.864 107.2 60.4 -67.1 -33.1 -13.5 29.0 17.3 78 77 A T H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.850 118.2 31.5 -59.4 -30.7 -14.4 31.1 14.2 79 78 A R H <<5S- 0 0 37 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.370 107.8-117.3-107.1 -0.2 -12.9 28.2 12.2 80 79 A G T <<5S+ 0 0 75 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.798 74.9 127.2 65.4 28.6 -13.6 25.2 14.4 81 80 A L < - 0 0 43 -5,-2.4 2,-0.9 -6,-0.2 -1,-0.2 -0.917 65.7-127.4-119.8 144.5 -9.9 24.6 14.8 82 81 A A - 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.1 -0.820 42.2-175.4 -87.4 105.9 -7.7 24.2 17.9 83 82 A L - 0 0 31 -2,-0.9 2,-0.3 -11,-0.2 -7,-0.1 -0.807 13.8-165.7-109.4 147.5 -5.0 26.8 17.2 84 83 A K - 0 0 105 -2,-0.3 18,-0.4 18,-0.2 2,-0.3 -0.935 34.9 -94.5-125.5 152.9 -1.9 27.7 19.2 85 84 A K - 0 0 48 -2,-0.3 2,-0.2 16,-0.1 16,-0.2 -0.500 42.0-124.9 -60.2 121.6 0.5 30.7 19.1 86 85 A N - 0 0 20 14,-3.7 -1,-0.1 -2,-0.3 15,-0.0 -0.551 24.1-168.9 -62.8 135.9 3.4 30.0 16.8 87 86 A T + 0 0 124 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.311 48.6 97.4-118.5 10.2 6.7 30.5 18.7 88 87 A E - 0 0 88 11,-0.1 2,-0.6 0, 0.0 11,-0.4 -0.836 55.5-151.5-104.2 140.7 9.4 30.3 16.0 89 88 A R - 0 0 116 -2,-0.4 2,-0.3 9,-0.2 9,-0.3 -0.907 22.3-166.8 -97.5 125.1 11.0 33.2 14.2 90 89 A R E -B 97 0A 68 7,-3.0 7,-2.6 -2,-0.6 2,-0.3 -0.746 7.5-179.2-106.5 163.7 12.1 32.1 10.8 91 90 A E E -B 96 0A 107 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 13.8-173.6-154.2 158.9 14.4 33.9 8.4 92 91 A N - 0 0 37 3,-2.0 55,-0.0 -2,-0.3 0, 0.0 -0.456 60.1 -68.2-128.6-154.6 15.9 33.6 4.9 93 92 A E S S+ 0 0 132 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.619 129.5 28.6 -78.8 -7.5 18.5 35.8 3.3 94 93 A F S S+ 0 0 47 1,-0.2 -84,-2.4 -85,-0.1 2,-0.3 0.766 118.8 20.8-117.8 -40.5 16.1 38.8 3.1 95 94 A I E -a 10 0A 0 -86,-0.3 -3,-2.0 48,-0.1 2,-0.3 -0.801 50.4-149.6-136.2 164.3 13.6 38.9 5.8 96 95 A T E +aB 11 91A 16 -86,-1.5 -84,-2.2 -2,-0.3 2,-0.3 -0.964 23.2 170.8-134.2 152.0 12.7 37.5 9.3 97 96 A G E - B 0 90A 1 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.4 -0.983 28.6-162.4-161.5 149.1 9.3 36.8 10.7 98 97 A E - 0 0 70 -2,-0.3 -9,-0.2 -9,-0.3 46,-0.1 -0.914 26.1-159.1-131.9 105.0 7.3 35.3 13.5 99 98 A C - 0 0 0 -11,-0.4 3,-0.1 -2,-0.4 12,-0.1 -0.295 18.7-129.8 -79.0 165.9 3.7 34.7 12.5 100 99 A D S S+ 0 0 20 10,-0.5 -14,-3.7 1,-0.3 2,-0.4 0.933 87.6 13.4 -78.6 -55.5 0.9 34.3 15.1 101 100 A I E -C 110 0B 2 9,-2.1 9,-2.3 -16,-0.2 2,-0.4 -0.990 58.4-169.6-132.0 132.4 -0.7 31.1 13.7 102 101 A Y E -C 109 0B 78 -2,-0.4 7,-0.2 -18,-0.4 -18,-0.2 -0.992 1.6-173.7-118.4 125.9 0.6 28.5 11.2 103 102 A V E > > +C 108 0B 7 5,-3.2 5,-2.0 -2,-0.4 3,-1.3 -0.857 4.8 178.0-120.0 88.9 -1.9 25.9 10.0 104 103 A P G > 5S+ 0 0 73 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.875 77.4 68.3 -62.6 -36.9 0.1 23.4 7.8 105 104 A S G 3 5S+ 0 0 103 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.778 115.9 26.9 -46.6 -34.0 -3.0 21.3 7.2 106 105 A R G < 5S- 0 0 133 -3,-1.3 -1,-0.3 2,-0.2 45,-0.2 0.299 105.2-118.8-116.0 11.3 -4.4 24.2 5.1 107 106 A K T < 5S+ 0 0 98 -3,-1.3 45,-1.9 -4,-0.4 44,-1.7 0.940 71.5 144.6 48.4 51.3 -1.1 25.9 3.9 108 107 A L E < -Cd 103 152B 2 -5,-2.0 -5,-3.2 42,-0.2 2,-0.4 -0.971 46.0-160.5-131.8 134.0 -2.4 28.9 5.9 109 108 A I E -Cd 102 153B 0 43,-1.9 45,-2.2 -2,-0.4 2,-0.4 -0.925 13.0-164.2-104.6 137.2 -1.1 31.7 8.0 110 109 A I E -Cd 101 154B 0 -9,-2.3 -9,-2.1 -2,-0.4 -10,-0.5 -0.975 3.5-170.7-117.2 139.9 -3.4 33.6 10.3 111 110 A D E - d 0 155B 5 43,-2.0 45,-3.2 -2,-0.4 2,-0.4 -0.999 11.3-147.2-128.3 130.4 -2.6 36.9 11.9 112 111 A T E - d 0 156B 15 -2,-0.4 2,-0.5 43,-0.2 45,-0.2 -0.820 8.7-168.7 -97.9 132.5 -4.6 38.6 14.6 113 112 A K E - d 0 157B 26 43,-2.8 45,-2.9 -2,-0.4 2,-1.0 -0.964 11.8-151.8-121.7 111.8 -4.8 42.4 14.8 114 113 A C E - d 0 158B 21 -2,-0.5 -50,-0.2 43,-0.2 45,-0.2 -0.720 17.1-142.4 -89.1 98.1 -6.3 43.7 18.0 115 114 A S - 0 0 5 43,-1.8 45,-0.5 -2,-1.0 3,-0.1 -0.217 4.8-137.6 -59.4 145.3 -8.0 47.0 17.3 116 115 A W S S- 0 0 22 1,-0.2 2,-0.3 43,-0.1 -1,-0.1 0.955 73.5 -15.3 -66.5 -52.7 -7.8 49.7 19.9 117 116 A D S > S- 0 0 45 44,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.869 73.8 -86.7-149.1 174.8 -11.4 51.0 19.6 118 117 A I T 4 S+ 0 0 58 57,-0.3 5,-0.3 -2,-0.3 -1,-0.1 0.885 122.7 55.3 -55.7 -40.9 -14.7 50.9 17.6 119 118 A G T 4 S+ 0 0 63 1,-0.2 -1,-0.2 3,-0.1 -4,-0.0 0.870 114.8 35.5 -59.6 -41.3 -13.4 53.9 15.5 120 119 A S T 4 S+ 0 0 44 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.680 96.9 97.4 -90.7 -20.9 -10.1 52.2 14.5 121 120 A H S < S- 0 0 0 -4,-2.2 2,-1.5 1,-0.1 3,-0.2 -0.544 75.4-131.2 -72.7 128.8 -11.6 48.7 14.1 122 121 A P + 0 0 0 0, 0.0 35,-0.1 0, 0.0 6,-0.1 -0.614 38.5 161.5 -85.7 85.4 -12.6 47.8 10.5 123 122 A F + 0 0 50 -2,-1.5 2,-0.2 -5,-0.3 66,-0.1 0.825 57.6 72.7 -62.6 -37.0 -16.0 46.4 10.9 124 123 A F S > S- 0 0 135 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.611 82.4-129.5 -95.5 145.2 -16.8 46.9 7.2 125 124 A T H > S+ 0 0 104 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 109.4 45.8 -63.1 -42.0 -15.3 44.7 4.5 126 125 A D H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 113.6 52.2 -62.2 -40.6 -14.1 47.6 2.3 127 126 A E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.871 109.5 48.0 -60.9 -43.1 -12.7 49.2 5.4 128 127 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.911 110.9 50.9 -65.6 -46.1 -10.8 46.1 6.4 129 128 A Q H X S+ 0 0 118 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.910 113.5 44.8 -57.0 -46.8 -9.3 45.6 3.0 130 129 A E H X S+ 0 0 129 -4,-2.5 4,-3.6 2,-0.2 5,-0.3 0.870 110.9 53.5 -65.8 -41.4 -8.1 49.2 2.9 131 130 A K H X S+ 0 0 64 -4,-2.2 4,-3.0 -5,-0.2 6,-0.3 0.933 109.2 48.5 -62.1 -40.9 -6.8 49.0 6.4 132 131 A A H X>S+ 0 0 2 -4,-2.4 5,-1.4 2,-0.2 6,-1.3 0.890 116.3 44.5 -65.0 -37.0 -4.7 45.9 5.5 133 132 A K H ><5S+ 0 0 104 -4,-1.8 3,-1.1 3,-0.2 -2,-0.2 0.973 116.3 44.7 -70.5 -52.2 -3.4 47.8 2.4 134 133 A K H 3<5S+ 0 0 112 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.878 116.4 45.7 -60.7 -40.7 -2.7 51.1 4.2 135 134 A A H 3<5S- 0 0 27 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.573 110.6-120.2 -81.1 -8.3 -1.0 49.4 7.2 136 135 A G T < + 0 0 60 -5,-1.4 4,-2.2 -6,-0.3 -4,-0.2 0.806 65.5 62.4 -69.3 -28.5 -0.4 43.9 6.4 138 137 A D H > S+ 0 0 36 -6,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.948 108.2 41.8 -57.1 -45.1 -0.9 42.5 2.9 139 138 A I H > S+ 0 0 17 -7,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.880 110.8 57.3 -70.9 -38.5 2.9 42.6 2.3 140 139 A Q H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.902 106.1 50.1 -55.4 -42.9 3.6 41.3 5.8 141 140 A X H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.844 106.1 55.4 -67.9 -33.9 1.4 38.2 5.0 142 141 A Q H X S+ 0 0 4 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.890 107.1 51.4 -65.6 -36.6 3.4 37.7 1.8 143 142 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.902 111.9 45.3 -64.9 -43.1 6.5 37.6 3.8 144 143 A Y H X S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.879 110.9 52.7 -67.6 -38.7 5.1 35.0 6.2 145 144 A X H X>S+ 0 0 0 -4,-2.6 5,-1.9 2,-0.2 4,-0.6 0.869 110.5 49.7 -64.2 -33.7 3.7 32.9 3.4 146 145 A W H ><5S+ 0 0 49 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.967 114.0 43.5 -66.2 -49.9 7.2 33.0 1.9 147 146 A L H 3<5S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.761 123.2 37.2 -68.2 -28.0 8.9 31.9 5.1 148 147 A W H 3<5S- 0 0 1 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.275 104.6-121.2-111.0 9.2 6.3 29.2 5.9 149 148 A D T <<5 + 0 0 110 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.911 58.7 155.1 51.7 50.4 5.6 27.9 2.4 150 149 A C < - 0 0 0 -5,-1.9 -1,-0.2 -6,-0.1 -42,-0.2 -0.763 46.9-149.6-111.4 157.2 1.9 28.8 2.5 151 150 A D S S+ 0 0 78 -44,-1.7 45,-2.3 -2,-0.3 2,-0.3 0.642 78.6 22.0 -96.4 -23.6 -0.7 29.5 -0.1 152 151 A Q E -dE 108 195B 44 -45,-1.9 -43,-1.9 43,-0.2 2,-0.3 -0.976 54.3-160.6-147.5 160.5 -2.9 31.8 1.8 153 152 A A E -dE 109 194B 0 41,-2.1 41,-3.2 -2,-0.3 2,-0.4 -0.968 7.4-158.1-134.7 146.8 -3.1 34.2 4.8 154 153 A Q E -dE 110 193B 29 -45,-2.2 -43,-2.0 -2,-0.3 2,-0.7 -0.991 7.6-151.6-130.4 123.9 -6.0 35.5 6.7 155 154 A I E -dE 111 192B 0 37,-2.9 37,-2.2 -2,-0.4 2,-0.9 -0.864 10.0-158.0 -97.1 114.2 -5.8 38.7 8.7 156 155 A D E -dE 112 191B 0 -45,-3.2 -43,-2.8 -2,-0.7 2,-0.6 -0.847 1.7-161.9 -94.6 100.1 -8.3 38.5 11.6 157 156 A F E -dE 113 190B 0 33,-2.8 33,-2.6 -2,-0.9 2,-0.4 -0.786 19.7-174.5 -77.4 122.4 -9.1 42.1 12.8 158 157 A V E -dE 114 189B 0 -45,-2.9 -43,-1.8 -2,-0.6 2,-0.6 -0.983 19.3-155.9-131.5 131.1 -10.5 41.6 16.2 159 158 A L + 0 0 1 29,-2.4 -43,-0.1 -2,-0.4 -45,-0.1 -0.938 22.0 163.2-109.6 112.9 -12.1 44.1 18.7 160 159 A F - 0 0 5 -2,-0.6 21,-0.1 -45,-0.5 -93,-0.0 -0.844 49.6 -83.0-113.1 162.9 -12.1 43.3 22.3 161 160 A P - 0 0 34 0, 0.0 16,-0.2 0, 0.0 15,-0.1 -0.330 53.1-103.2 -58.6 146.3 -12.6 45.7 25.2 162 161 A T - 0 0 2 14,-2.5 5,-0.1 -46,-0.1 -46,-0.0 -0.592 39.0-110.3 -75.0 128.3 -9.5 47.6 26.2 163 162 A P > - 0 0 25 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.359 26.6-120.0 -57.9 138.2 -7.9 46.1 29.4 164 163 A L G > S+ 0 0 123 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.826 108.7 64.5 -50.6 -39.0 -8.3 48.6 32.3 165 164 A N G 3 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.610 102.1 51.0 -66.0 -10.4 -4.6 48.9 32.9 166 165 A L G < S+ 0 0 22 -3,-2.4 2,-0.9 2,-0.1 -1,-0.3 0.402 81.8 101.2-105.8 1.0 -4.2 50.5 29.4 167 166 A I < - 0 0 24 -3,-1.9 6,-0.1 -4,-0.3 -1,-0.0 -0.779 65.0-149.1 -92.0 107.5 -6.9 53.2 29.7 168 167 A S > - 0 0 54 -2,-0.9 3,-1.3 1,-0.1 -2,-0.1 -0.129 31.8 -92.9 -69.9 170.5 -5.2 56.5 30.4 169 168 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.836 129.1 43.4 -51.0 -36.9 -6.6 59.4 32.5 170 169 A Y T 3 S+ 0 0 225 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.593 96.2 93.7 -91.5 -9.4 -7.9 60.9 29.2 171 170 A D S < S- 0 0 41 -3,-1.3 2,-0.6 1,-0.1 3,-0.1 -0.371 77.0-113.4 -81.9 159.5 -9.2 57.7 27.6 172 171 A S > - 0 0 42 1,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.860 17.3-167.7-104.1 117.5 -12.9 56.6 28.0 173 172 A D H >>S+ 0 0 81 -2,-0.6 4,-1.8 2,-0.2 5,-1.6 0.863 95.6 56.1 -55.0 -42.8 -14.0 53.5 29.9 174 173 A F H 4>S+ 0 0 117 3,-0.2 5,-2.6 2,-0.2 6,-0.3 0.953 115.8 33.7 -61.0 -48.4 -17.4 54.0 28.3 175 174 A K H 45S+ 0 0 122 3,-0.2 -57,-0.3 1,-0.2 -2,-0.2 0.905 122.4 43.8 -73.9 -43.8 -16.1 53.9 24.8 176 175 A L H <5S+ 0 0 5 -4,-2.7 -14,-2.5 3,-0.1 -1,-0.2 0.650 134.5 8.1 -82.3 -18.8 -13.2 51.4 25.1 177 176 A I T X5S+ 0 0 24 -4,-1.8 4,-2.4 -16,-0.2 3,-0.5 0.616 124.4 46.7-122.4 -65.3 -15.1 48.8 27.2 178 177 A D H >4 S+ 0 0 0 -3,-0.5 3,-1.8 -6,-0.3 -2,-0.2 0.901 103.8 55.6 -76.5 -41.6 -17.6 47.2 22.9 181 180 A E H 3< S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.677 100.0 62.6 -64.7 -20.8 -19.2 44.6 25.3 182 181 A Q T 3< S+ 0 0 152 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.597 88.4 83.4 -74.2 -15.4 -22.6 45.5 23.9 183 182 A I S < S- 0 0 35 -3,-1.8 5,-0.1 -4,-0.2 -3,-0.0 -0.807 92.6-108.6 -96.8 127.0 -21.6 44.3 20.4 184 183 A P > - 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.247 25.2-125.5 -48.9 134.8 -21.9 40.5 19.7 185 184 A Q G > S+ 0 0 85 1,-0.3 3,-1.8 2,-0.2 -26,-0.2 0.854 108.5 63.1 -55.5 -36.8 -18.5 39.0 19.5 186 185 A I G > S+ 0 0 124 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.781 102.2 51.8 -62.7 -22.9 -19.2 37.5 16.1 187 186 A R G < S+ 0 0 167 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.502 99.5 66.4 -85.5 -3.8 -19.6 41.1 14.8 188 187 A R G < S+ 0 0 21 -3,-1.8 -29,-2.4 -4,-0.4 2,-0.4 0.190 87.2 74.7-105.2 14.2 -16.2 42.1 16.2 189 188 A I E < +E 158 0B 25 -3,-0.6 2,-0.4 -31,-0.2 -31,-0.2 -1.000 54.1 177.6-122.4 127.0 -14.1 39.9 14.0 190 189 A T E -E 157 0B 17 -33,-2.6 -33,-2.8 -2,-0.4 2,-0.4 -0.996 13.6-157.1-127.8 126.5 -13.5 40.9 10.3 191 190 A T E -E 156 0B 52 -2,-0.4 2,-0.4 -35,-0.2 -35,-0.2 -0.851 7.4-163.2-109.2 134.8 -11.2 38.7 8.3 192 191 A V E -E 155 0B 13 -37,-2.2 -37,-2.9 -2,-0.4 2,-0.5 -0.983 14.3-146.2-116.1 128.2 -9.3 39.6 5.1 193 192 A I E -E 154 0B 97 -2,-0.4 2,-0.5 -39,-0.2 -39,-0.2 -0.832 11.7-166.4 -98.5 126.0 -8.0 36.8 2.9 194 193 A I E -E 153 0B 25 -41,-3.2 -41,-2.1 -2,-0.5 2,-0.3 -0.969 11.3-144.2-114.2 122.9 -4.7 37.4 1.1 195 194 A Q E -E 152 0B 117 -2,-0.5 -43,-0.2 -43,-0.2 -44,-0.1 -0.633 31.4-100.1 -81.7 143.5 -3.6 35.0 -1.7 196 195 A R - 0 0 65 -45,-2.3 2,-0.4 -2,-0.3 -1,-0.1 -0.378 39.2-165.7 -55.9 136.6 0.1 34.1 -2.1 197 196 A D >> - 0 0 66 1,-0.1 4,-1.8 -3,-0.0 3,-0.7 -0.863 12.7-167.3-136.4 99.8 1.5 36.2 -4.9 198 197 A N H 3> S+ 0 0 95 -2,-0.4 4,-2.3 1,-0.3 -1,-0.1 0.745 89.9 57.5 -60.8 -29.0 4.9 35.1 -6.2 199 198 A E H 3> S+ 0 0 158 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.875 108.3 47.7 -66.4 -37.6 5.4 38.3 -8.2 200 199 A L H <> S+ 0 0 49 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.865 109.2 52.7 -68.0 -37.7 4.9 40.2 -4.9 201 200 A I H X S+ 0 0 7 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.927 109.0 50.4 -64.8 -41.6 7.4 37.9 -3.2 202 201 A D H X S+ 0 0 85 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.879 108.4 52.6 -60.0 -39.9 9.8 38.7 -6.0 203 202 A K H X S+ 0 0 26 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.918 106.3 52.9 -59.7 -45.8 9.2 42.4 -5.4 204 203 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.954 109.9 50.0 -53.5 -50.6 10.0 41.9 -1.6 205 204 A K H X S+ 0 0 48 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.892 113.1 44.9 -52.7 -49.6 13.3 40.3 -2.7 206 205 A E H X S+ 0 0 108 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.935 116.4 44.8 -63.9 -50.7 14.2 43.2 -5.1 207 206 A R H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.875 114.7 47.8 -63.0 -41.9 13.2 45.9 -2.6 208 207 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.914 110.3 53.2 -66.8 -39.7 15.0 44.3 0.3 209 208 A S H X S+ 0 0 42 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.910 110.3 46.2 -62.1 -41.5 18.1 43.7 -1.7 210 209 A A H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.930 112.2 52.6 -65.9 -42.3 18.2 47.4 -2.7 211 210 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.879 106.7 52.5 -58.3 -40.3 17.6 48.3 1.0 212 211 A Q H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.874 108.7 50.0 -67.5 -37.8 20.5 46.0 2.1 213 212 A K H X S+ 0 0 149 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.926 113.3 45.7 -64.9 -45.2 22.9 47.8 -0.3 214 213 A Y H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.951 112.0 52.1 -61.1 -49.0 21.8 51.2 1.0 215 214 A Y H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.912 106.9 52.9 -50.0 -48.9 22.1 50.0 4.6 216 215 A D H X S+ 0 0 65 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.866 107.8 51.4 -58.6 -38.7 25.7 48.7 3.9 217 216 A Q H X S+ 0 0 112 -4,-1.6 4,-1.3 -3,-0.3 -1,-0.2 0.884 109.6 50.1 -64.0 -39.8 26.6 52.2 2.6 218 217 A L H >X S+ 0 0 24 -4,-2.1 4,-0.8 2,-0.2 3,-0.5 0.948 109.9 50.3 -65.7 -46.4 25.1 53.8 5.7 219 218 A I H >< S+ 0 0 2 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.896 106.7 56.0 -56.4 -43.3 27.2 51.4 7.9 220 219 A S H >< S+ 0 0 59 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.810 99.8 58.7 -62.3 -32.3 30.4 52.3 6.0 221 220 A E H << S+ 0 0 129 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.774 107.1 48.0 -65.4 -27.5 29.9 56.0 6.7 222 221 A X T << 0 0 109 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 -0.070 360.0 360.0-101.5 31.9 30.0 55.2 10.4 223 222 A S < 0 0 107 -3,-1.2 -3,-0.1 -221,-0.0 -4,-0.0 -0.463 360.0 360.0-146.6 360.0 33.1 53.0 10.2