==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-JUN-02 1LWV . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.FROMME,S.D.BRUNER,W.YANG,M.KARPLUS,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0.3 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 3 1 1 1 3 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A G 0 0 94 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.4 29.1 -12.8 36.6 2 10 A S + 0 0 116 4,-0.1 2,-0.2 9,-0.0 4,-0.1 0.669 360.0 63.2 -81.5 -17.7 25.4 -13.2 37.3 3 11 A E S S+ 0 0 157 2,-0.1 160,-0.1 160,-0.1 0, 0.0 -0.537 87.1 25.9-101.8 170.8 25.4 -10.5 40.0 4 12 A G S S- 0 0 12 158,-0.2 2,-0.3 -2,-0.2 158,-0.0 0.045 105.1 -23.7 71.6 179.5 26.2 -6.8 39.8 5 13 A H S S- 0 0 21 158,-0.1 -2,-0.1 1,-0.1 43,-0.0 -0.485 73.8-123.3 -67.0 128.3 26.0 -4.3 37.0 6 14 A R - 0 0 29 -2,-0.3 2,-0.3 -4,-0.1 37,-0.1 -0.137 21.3-155.6 -68.1 166.2 26.1 -6.1 33.7 7 15 A T > - 0 0 33 1,-0.1 4,-1.9 50,-0.0 7,-0.2 -0.973 27.0-119.5-141.5 151.3 28.7 -5.4 31.0 8 16 A L T 4 S+ 0 0 47 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.869 115.6 43.9 -60.6 -34.6 28.5 -6.0 27.2 9 17 A A T 4 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.891 113.6 47.7 -77.1 -42.3 31.5 -8.3 27.4 10 18 A S T 4 S+ 0 0 69 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.756 124.3 25.9 -74.4 -27.9 30.5 -10.3 30.6 11 19 A T >< + 0 0 23 -4,-1.9 3,-3.1 1,-0.1 -1,-0.2 -0.263 67.4 162.1-135.8 54.4 26.9 -11.1 29.6 12 20 A P G > S+ 0 0 83 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.788 75.7 56.9 -37.2 -52.6 26.7 -11.1 25.8 13 21 A A G 3 S+ 0 0 84 1,-0.3 2,-0.2 64,-0.0 -5,-0.0 0.696 100.2 65.8 -60.2 -16.7 23.4 -13.1 25.6 14 22 A L G < S+ 0 0 32 -3,-3.1 2,-0.3 -7,-0.2 -1,-0.3 -0.260 87.7 78.9-103.2 47.4 22.0 -10.4 27.8 15 23 A W < - 0 0 21 -3,-0.8 2,-0.4 -2,-0.2 53,-0.2 -0.952 51.9-166.2-153.8 131.7 22.2 -7.4 25.4 16 24 A A E -A 67 0A 18 51,-2.9 51,-3.3 -2,-0.3 2,-0.2 -0.910 19.8-137.1-115.3 145.2 20.0 -6.2 22.5 17 25 A S E -A 66 0A 51 -2,-0.4 49,-0.2 49,-0.2 47,-0.1 -0.611 10.4-160.5-103.5 163.6 21.2 -3.6 20.0 18 26 A I E -A 65 0A 9 47,-0.9 47,-2.4 -2,-0.2 2,-0.3 -0.993 35.9-107.2-138.9 127.7 19.5 -0.6 18.4 19 27 A P E +A 64 0A 105 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.415 61.5 141.9 -60.1 119.7 21.0 1.0 15.2 20 28 A C - 0 0 4 43,-2.3 41,-0.2 -2,-0.3 2,-0.1 -0.683 37.1-148.5-166.0 105.3 22.5 4.3 16.3 21 29 A P >> - 0 0 31 0, 0.0 3,-2.8 0, 0.0 4,-1.3 -0.398 32.0-112.6 -75.1 152.1 25.7 5.9 15.2 22 30 A R T 34 S+ 0 0 71 40,-1.6 3,-0.1 1,-0.3 41,-0.1 0.822 118.4 66.7 -51.9 -29.2 27.8 8.1 17.4 23 31 A S T 34 S+ 0 0 49 1,-0.2 96,-0.8 95,-0.1 -1,-0.3 0.768 105.0 41.8 -64.7 -24.2 26.8 10.9 15.2 24 32 A E T <4 S+ 0 0 25 -3,-2.8 2,-0.3 1,-0.3 -1,-0.2 0.695 129.0 9.0 -95.0 -21.4 23.2 10.5 16.4 25 33 A L < - 0 0 0 -4,-1.3 2,-0.4 -3,-0.1 -1,-0.3 -0.932 46.3-171.6-164.7 136.9 24.0 10.0 20.1 26 34 A R >> - 0 0 40 93,-2.0 3,-2.2 -2,-0.3 4,-1.8 -0.890 10.3-165.4-130.6 96.0 26.8 10.2 22.5 27 35 A L H 3> S+ 0 0 1 -2,-0.4 4,-2.3 1,-0.3 3,-0.2 0.869 88.8 57.3 -47.7 -45.9 25.8 8.8 25.9 28 36 A D H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.635 112.2 41.6 -65.0 -15.3 28.8 10.3 27.6 29 37 A L H <4 S+ 0 0 8 -3,-2.2 -1,-0.2 90,-0.1 -2,-0.2 0.680 121.6 38.9-104.0 -21.9 27.7 13.8 26.4 30 38 A V H >< S+ 0 0 0 -4,-1.8 3,-0.9 -3,-0.2 5,-0.5 0.920 109.5 50.9 -92.9 -52.3 24.0 13.4 27.0 31 39 A L T 3< S+ 0 0 2 -4,-2.3 8,-0.4 1,-0.2 3,-0.3 0.790 116.1 36.7 -63.0 -34.0 23.5 11.5 30.3 32 40 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.414 93.8 93.9 -99.8 6.0 25.7 13.5 32.7 33 41 A S S < S- 0 0 5 -3,-0.9 -2,-0.1 1,-0.1 4,-0.1 0.188 105.0 -93.6 -85.0 16.9 25.0 16.9 31.1 34 42 A G S S+ 0 0 10 2,-0.4 3,-0.2 -3,-0.3 -3,-0.1 0.770 99.5 101.2 83.0 23.0 22.2 18.1 33.3 35 43 A Q S S+ 0 0 9 1,-0.6 2,-0.4 -5,-0.5 -4,-0.1 0.809 97.2 12.2 -96.2 -63.1 19.1 16.9 31.4 36 44 A S - 0 0 3 -6,-0.3 -1,-0.6 -5,-0.2 -2,-0.4 -0.892 65.4-160.5-110.5 142.6 18.3 13.8 33.5 37 45 A F S S+ 0 0 8 -2,-0.4 113,-0.1 -3,-0.2 -1,-0.1 0.382 72.8 80.5-105.5 7.2 20.2 13.4 36.8 38 46 A R + 0 0 33 12,-0.1 2,-0.5 111,-0.1 12,-0.5 0.111 64.0 97.5-105.7 26.0 19.6 9.6 37.2 39 47 A W - 0 0 10 -8,-0.4 2,-0.4 -3,-0.3 10,-0.2 -0.942 45.9-175.6-114.5 130.3 22.3 8.0 35.0 40 48 A R E -B 48 0A 112 8,-2.5 8,-3.2 -2,-0.5 2,-1.8 -0.974 30.3-130.2-125.6 138.8 25.6 6.7 36.4 41 49 A E E + 0 0 93 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.606 35.6 171.1 -84.9 78.8 28.5 5.3 34.6 42 50 A Q E S+ 0 0 79 -2,-1.8 -1,-0.2 4,-0.4 5,-0.1 0.870 70.5 21.5 -58.8 -41.1 28.8 2.2 36.8 43 51 A S E > S-B 46 0A 28 3,-1.2 3,-2.6 -3,-0.2 5,-0.0 -0.886 114.1 -73.1-122.1 155.6 31.3 0.6 34.5 44 52 A P T 3 S- 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.255 119.4 -3.6 -53.3 130.5 33.5 2.4 32.0 45 53 A A T 3 S+ 0 0 56 1,-0.2 2,-0.5 -4,-0.1 15,-0.4 0.663 111.2 111.5 59.3 19.2 31.3 3.5 29.1 46 54 A H E < -B 43 0A 19 -3,-2.6 -3,-1.2 13,-0.1 2,-0.5 -0.978 51.5-163.1-124.4 116.8 28.3 1.7 30.7 47 55 A W E - C 0 58A 20 11,-3.2 11,-2.4 -2,-0.5 2,-0.4 -0.868 3.8-167.9-107.5 130.3 25.5 3.8 32.0 48 56 A S E +BC 40 57A 1 -8,-3.2 -8,-2.5 -2,-0.5 2,-0.3 -0.912 25.2 117.8-118.2 143.6 22.8 2.6 34.4 49 57 A G E - C 0 56A 0 7,-1.9 7,-2.8 -2,-0.4 2,-0.5 -0.977 60.3 -66.6-178.8-179.4 19.6 4.2 35.4 50 58 A V E + C 0 55A 15 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.789 43.0 174.4 -96.0 127.6 15.8 4.0 35.5 51 59 A L S S- 0 0 6 3,-3.5 3,-0.3 -2,-0.5 35,-0.1 -0.944 70.6 -14.9-136.2 112.4 14.0 4.1 32.2 52 60 A A S S- 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.957 128.4 -50.4 61.9 53.0 10.2 3.5 32.0 53 61 A D S S+ 0 0 133 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.678 123.5 90.9 61.6 20.2 10.0 2.1 35.5 54 62 A Q S S- 0 0 51 -3,-0.3 -3,-3.5 106,-0.0 2,-0.4 -0.979 77.3-112.5-141.9 154.3 12.8 -0.4 34.9 55 63 A V E +CD 50 70A 1 15,-1.0 15,-2.6 -2,-0.3 2,-0.3 -0.732 38.1 178.3 -90.9 136.2 16.5 -0.4 35.4 56 64 A W E -CD 49 69A 2 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.4 -0.896 22.9-151.7-132.5 160.1 18.7 -0.4 32.4 57 65 A T E -CD 48 68A 0 11,-2.0 11,-1.8 -2,-0.3 2,-0.4 -0.981 21.5-169.3-128.2 139.8 22.4 -0.3 31.5 58 66 A L E +CD 47 67A 0 -11,-2.4 -11,-3.2 -2,-0.4 2,-0.3 -0.988 14.6 161.2-136.0 145.2 23.5 1.2 28.2 59 67 A T E - D 0 66A 9 7,-2.0 7,-3.1 -2,-0.4 2,-0.4 -0.969 21.3-141.9-153.9 156.8 26.7 1.3 26.3 60 68 A Q E - D 0 65A 37 -15,-0.4 5,-0.2 -2,-0.3 2,-0.1 -0.958 9.1-161.4-135.4 150.1 27.5 2.0 22.6 61 69 A T - 0 0 63 3,-2.7 -39,-0.1 -2,-0.4 5,-0.0 -0.290 56.3 -76.0-102.4-165.6 29.8 0.8 19.8 62 70 A E S S+ 0 0 110 1,-0.2 -40,-1.6 -2,-0.1 3,-0.0 0.864 128.5 9.6 -65.8 -36.4 30.5 2.9 16.7 63 71 A E S S+ 0 0 108 -42,-0.2 -43,-2.3 -41,-0.1 2,-0.4 0.392 120.1 72.3-124.8 2.1 27.2 2.1 15.1 64 72 A Q E -A 19 0A 57 -45,-0.2 -3,-2.7 -47,-0.1 2,-0.7 -0.938 56.9-149.8-129.2 145.9 25.2 0.4 17.8 65 73 A L E -AD 18 60A 0 -47,-2.4 -47,-0.9 -2,-0.4 2,-0.5 -0.933 25.7-151.0-108.0 108.8 23.4 1.3 21.1 66 74 A H E -AD 17 59A 22 -7,-3.1 -7,-2.0 -2,-0.7 2,-0.4 -0.730 15.5-171.5 -87.9 124.8 23.6 -1.8 23.3 67 75 A C E +AD 16 58A 0 -51,-3.3 -51,-2.9 -2,-0.5 2,-0.4 -0.939 12.0 175.8-121.7 138.4 20.7 -2.1 25.8 68 76 A T E - D 0 57A 0 -11,-1.8 -11,-2.0 -2,-0.4 2,-0.4 -0.999 12.6-156.8-140.8 135.6 20.2 -4.5 28.7 69 77 A V E - D 0 56A 1 -2,-0.4 2,-0.6 7,-0.3 7,-0.3 -0.942 9.5-151.0-123.4 138.5 17.3 -4.5 31.2 70 78 A Y E D 0 55A 17 -15,-2.6 -15,-1.0 -2,-0.4 91,-0.1 -0.896 360.0 360.0-105.4 113.0 16.8 -5.8 34.7 71 79 A R 0 0 103 -2,-0.6 4,-0.1 -17,-0.1 -1,-0.1 0.216 360.0 360.0 -96.6 360.0 13.2 -6.8 35.5 72 ! 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 73 83 A S 0 0 158 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -32.2 11.8 -12.9 36.1 74 84 A Q - 0 0 170 1,-0.1 2,-0.1 0, 0.0 -3,-0.0 -0.606 360.0-102.1 -73.3 121.5 14.3 -15.1 34.3 75 85 A A + 0 0 54 -2,-0.5 2,-0.2 -4,-0.1 -1,-0.1 -0.220 63.8 152.0 -47.5 112.2 17.0 -12.9 33.0 76 86 A S - 0 0 51 -7,-0.3 -7,-0.3 -62,-0.1 -5,-0.1 -0.535 44.7 -73.0-128.1-164.6 16.3 -12.5 29.3 77 87 A R - 0 0 49 -2,-0.2 -9,-0.1 1,-0.1 -63,-0.1 -0.643 54.7 -88.4 -98.1 155.0 16.8 -10.0 26.5 78 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -63,-0.1 -0.338 48.8-128.9 -57.8 140.8 15.1 -6.7 26.0 79 89 A T > - 0 0 55 1,-0.1 4,-2.5 -3,-0.1 5,-0.3 -0.454 23.8-102.5 -86.3 166.4 12.0 -7.4 24.0 80 90 A P H > S+ 0 0 104 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.857 124.6 51.0 -57.8 -35.0 11.2 -5.3 20.9 81 91 A D H > S+ 0 0 135 2,-0.2 4,-0.8 1,-0.2 0, 0.0 0.894 109.9 49.6 -69.0 -39.5 8.6 -3.3 22.8 82 92 A E H >> S+ 0 0 25 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.892 108.5 51.6 -66.0 -41.2 11.1 -2.6 25.6 83 93 A L H 3X S+ 0 0 24 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.844 104.2 60.0 -63.2 -32.1 13.7 -1.4 23.1 84 94 A E H 3X S+ 0 0 94 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.3 0.785 97.0 58.9 -65.7 -27.8 11.0 0.8 21.8 85 95 A A H S+ 0 0 57 -4,-2.1 5,-2.1 1,-0.2 4,-0.3 0.901 111.4 47.6 -58.6 -37.6 14.1 4.7 21.3 88 98 A K H ><5S+ 0 0 159 -4,-1.8 3,-0.8 2,-0.2 -1,-0.2 0.895 107.4 55.3 -70.3 -38.7 11.3 7.0 22.6 89 99 A Y H 3<5S+ 0 0 23 -4,-1.9 35,-2.9 1,-0.3 -2,-0.2 0.902 117.4 36.0 -60.5 -41.1 13.4 8.1 25.6 90 100 A F T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 33,-0.2 -2,-0.2 0.383 104.4-132.0 -93.0 3.3 16.1 9.2 23.2 91 101 A Q T X 5 + 0 0 40 -3,-0.8 3,-1.6 -4,-0.3 -3,-0.2 0.914 35.9 176.1 44.8 55.3 13.6 10.4 20.5 92 102 A L T 3 < + 0 0 23 -5,-2.1 -1,-0.1 1,-0.3 4,-0.1 0.570 65.4 73.4 -68.1 -9.8 15.6 8.6 17.9 93 103 A D T 3 S+ 0 0 133 -6,-0.3 2,-0.6 2,-0.1 -1,-0.3 0.724 80.9 84.0 -75.3 -20.3 13.1 9.4 15.1 94 104 A V S < S- 0 0 33 -3,-1.6 2,-0.8 -4,-0.1 0, 0.0 -0.744 85.9-133.9 -82.1 121.8 14.4 13.0 15.2 95 105 A T > - 0 0 69 -2,-0.6 4,-1.5 1,-0.2 3,-0.4 -0.701 15.7-165.7 -81.7 109.7 17.6 13.0 13.0 96 106 A L H > S+ 0 0 0 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.876 86.5 58.8 -63.1 -37.0 20.3 14.8 14.9 97 107 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 103.5 51.9 -61.6 -35.3 22.5 15.1 11.7 98 108 A Q H > S+ 0 0 132 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.917 113.1 44.8 -67.9 -42.5 19.7 17.1 10.0 99 109 A L H X S+ 0 0 23 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.955 112.4 50.1 -66.1 -49.0 19.4 19.5 12.9 100 110 A Y H X S+ 0 0 28 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.919 110.5 51.8 -54.2 -47.3 23.2 19.9 13.3 101 111 A H H X S+ 0 0 124 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.961 112.5 45.0 -52.5 -56.6 23.5 20.6 9.5 102 112 A H H X S+ 0 0 84 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.916 116.3 44.2 -56.4 -49.4 20.8 23.3 9.7 103 113 A W H >X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 3,-0.7 0.947 114.3 48.9 -63.5 -47.6 22.1 25.0 12.8 104 114 A G H 3< S+ 0 0 4 -4,-3.4 7,-0.4 -5,-0.3 -1,-0.2 0.871 107.5 58.8 -58.8 -34.2 25.7 24.9 11.6 105 115 A S H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.800 115.7 31.0 -64.9 -34.0 24.4 26.3 8.3 106 116 A V H << S+ 0 0 74 -4,-1.3 2,-0.4 -3,-0.7 -1,-0.2 0.516 121.1 53.3-102.7 -9.9 22.9 29.5 9.9 107 117 A D X - 0 0 9 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 -0.880 58.5-169.0-134.8 105.6 25.4 29.8 12.8 108 118 A S H > S+ 0 0 97 -2,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.904 91.6 51.9 -53.2 -50.2 29.1 29.8 12.1 109 119 A H H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 106.5 54.8 -59.0 -39.2 30.0 29.5 15.7 110 120 A F H > S+ 0 0 0 2,-0.2 4,-3.7 -7,-0.2 5,-0.3 0.943 105.0 52.0 -60.4 -49.6 27.8 26.4 16.0 111 121 A Q H X S+ 0 0 98 -4,-2.0 4,-1.3 -7,-0.4 -1,-0.2 0.953 110.0 51.6 -48.1 -54.2 29.5 24.6 13.2 112 122 A E H >< S+ 0 0 127 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.940 117.8 34.7 -48.4 -60.8 32.8 25.2 14.9 113 123 A V H >X S+ 0 0 12 -4,-2.4 3,-1.8 1,-0.2 4,-0.7 0.928 113.1 59.0 -64.0 -47.2 31.7 23.8 18.2 114 124 A A H 3< S+ 0 0 9 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.653 90.7 71.3 -59.1 -17.7 29.4 21.1 16.9 115 125 A Q T << S+ 0 0 143 -4,-1.3 -1,-0.3 -3,-0.7 3,-0.2 0.795 109.2 33.6 -70.7 -25.4 32.3 19.5 14.9 116 126 A K T <4 S+ 0 0 118 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.489 119.2 53.3-106.3 -5.3 33.8 18.3 18.3 117 127 A F < + 0 0 30 -4,-0.7 3,-0.4 3,-0.0 -1,-0.2 -0.514 69.2 154.9-131.5 68.8 30.5 17.7 20.1 118 128 A Q + 0 0 87 -3,-0.2 -94,-0.1 1,-0.2 3,-0.1 -0.461 50.8 45.6 -91.2 164.9 28.3 15.4 18.1 119 129 A G + 0 0 0 -96,-0.8 -93,-2.0 1,-0.2 2,-0.9 0.630 68.0 141.2 82.3 13.8 25.5 13.2 19.5 120 130 A V + 0 0 1 -3,-0.4 -1,-0.2 -95,-0.2 2,-0.2 -0.810 21.9 148.1 -93.8 106.9 24.0 15.8 21.8 121 131 A R - 0 0 0 -2,-0.9 2,-0.4 -95,-0.1 -30,-0.1 -0.700 46.5 -90.3-126.3 178.6 20.2 15.3 21.6 122 132 A L - 0 0 0 -2,-0.2 2,-0.2 -32,-0.1 181,-0.1 -0.784 27.8-133.5-100.1 137.8 17.3 15.8 24.1 123 133 A L - 0 0 0 -2,-0.4 2,-1.0 -93,-0.1 -33,-0.2 -0.595 17.2-131.9 -81.7 146.4 15.9 13.1 26.4 124 134 A R - 0 0 24 -35,-2.9 124,-0.2 -2,-0.2 2,-0.1 -0.855 40.5-170.1-101.1 96.9 12.1 12.8 26.4 125 135 A Q - 0 0 3 122,-2.6 -89,-0.0 -2,-1.0 -3,-0.0 -0.430 28.5 -94.7 -93.4 163.8 11.5 12.8 30.1 126 136 A D > - 0 0 77 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.544 35.3-129.5 -72.2 132.7 8.6 12.1 32.4 127 137 A P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.869 102.9 47.7 -51.2 -47.3 6.8 15.4 33.4 128 138 A I H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.942 113.9 44.5 -64.4 -51.0 6.9 14.8 37.1 129 139 A E H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.941 115.9 48.4 -59.9 -46.1 10.5 13.8 37.4 130 140 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.913 111.2 51.5 -60.2 -44.4 11.6 16.6 35.2 131 141 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.967 117.9 34.2 -58.2 -59.2 9.5 19.1 37.1 132 142 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.850 114.2 59.3 -69.6 -32.6 10.8 18.3 40.6 133 143 A S H < S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.4 3,-0.2 0.942 111.4 40.9 -61.4 -45.0 14.3 17.5 39.4 134 144 A F H >X S+ 0 0 7 -4,-2.3 4,-0.8 -5,-0.2 3,-0.5 0.707 103.7 65.0 -78.0 -17.7 14.7 21.0 38.0 135 145 A I H >< S+ 0 0 0 -4,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.891 105.3 48.9 -66.5 -33.9 13.0 22.6 40.9 136 146 A C T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.568 101.0 69.0 -77.5 -10.0 16.1 21.3 42.7 137 147 A S T X4 + 0 0 4 -3,-0.5 3,-0.9 -4,-0.2 -1,-0.2 0.758 68.0 115.0 -83.3 -23.9 18.3 22.7 40.0 138 148 A S T << S- 0 0 28 -4,-0.8 3,-0.1 -3,-0.5 56,-0.1 -0.169 92.2 -7.2 -54.2 130.2 17.9 26.5 40.7 139 149 A N T 3 S+ 0 0 143 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.942 117.8 105.2 50.4 52.7 21.0 28.4 41.9 140 150 A N < - 0 0 39 -3,-0.9 2,-0.3 4,-0.0 -1,-0.2 -0.925 69.7-108.3-152.6 171.7 22.8 25.0 42.1 141 151 A N > - 0 0 86 -2,-0.3 4,-2.9 -3,-0.1 3,-0.3 -0.856 27.9-118.9-112.5 147.7 25.4 22.8 40.4 142 152 A I H > S+ 0 0 43 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.807 112.3 54.6 -50.1 -39.1 24.8 19.6 38.5 143 153 A A H > S+ 0 0 78 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.936 113.6 41.0 -63.4 -47.1 26.9 17.5 40.9 144 154 A R H >> S+ 0 0 99 -3,-0.3 4,-2.2 1,-0.2 3,-0.5 0.922 112.4 54.5 -66.5 -46.7 25.0 18.7 43.9 145 155 A I H 3X S+ 0 0 6 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.888 103.1 58.5 -55.7 -40.1 21.6 18.4 42.2 146 156 A T H 3X S+ 0 0 13 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.879 107.5 44.9 -59.6 -39.2 22.4 14.8 41.3 147 157 A G H S-E 166 0B 15 3,-2.6 3,-2.6 -2,-0.5 2,-0.1 -0.984 70.6 -40.9-119.0 122.4 22.7 -4.2 41.5 164 174 A D T 3 S- 0 0 92 -2,-0.5 -160,-0.1 1,-0.3 -2,-0.0 -0.427 126.2 -26.8 57.7-127.3 25.9 -4.6 43.7 165 175 A D T 3 S+ 0 0 146 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.089 117.7 104.0-103.4 21.7 25.3 -2.1 46.5 166 176 A V E < -E 163 0B 38 -3,-2.6 -3,-2.6 2,-0.0 2,-0.6 -0.911 51.5-166.1-108.6 120.1 23.1 0.1 44.5 167 177 A T E -E 162 0B 46 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.2 -0.926 16.5-144.3-104.1 120.8 19.3 0.0 45.1 168 178 A Y E - 0 0 21 -7,-3.0 -8,-3.4 -2,-0.6 2,-0.3 -0.579 13.7-164.4 -86.9 147.7 17.4 1.7 42.3 169 179 A H E -E 159 0B 21 -10,-0.3 -10,-0.2 -2,-0.2 -119,-0.1 -0.955 18.9-123.7-129.1 148.7 14.2 3.7 43.0 170 180 A G - 0 0 4 -12,-3.0 -14,-0.1 -2,-0.3 3,-0.1 -0.436 50.3 -83.4 -80.6 165.6 11.5 4.9 40.7 171 181 A F - 0 0 28 -14,-0.2 -1,-0.1 1,-0.1 -42,-0.1 -0.502 57.3 -95.7 -71.3 140.4 10.8 8.7 40.8 172 182 A P - 0 0 2 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.157 37.7-118.8 -56.0 144.5 8.5 9.7 43.6 173 183 A S > - 0 0 57 -17,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.354 22.5-111.4 -80.6 166.1 4.8 10.1 43.0 174 184 A L H > S+ 0 0 7 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.931 119.7 52.4 -61.3 -47.6 2.9 13.4 43.4 175 185 A Q H >> S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.924 109.3 50.0 -56.9 -44.4 1.0 12.0 46.4 176 186 A A H >4 S+ 0 0 30 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.948 110.6 48.1 -60.3 -48.1 4.3 11.0 48.0 177 187 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 25,-0.2 0.664 111.2 52.4 -68.2 -14.6 5.8 14.4 47.5 178 188 A A H << S+ 0 0 14 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.601 86.9 117.6 -94.3 -13.2 2.7 16.0 49.0 179 189 A G S X< S- 0 0 19 -3,-1.1 3,-0.9 -4,-1.0 4,-0.3 0.166 76.1 -76.6 -48.1 169.8 2.8 13.8 52.1 180 190 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.482 110.4 6.7 -75.4 140.9 3.2 15.2 55.6 181 191 A E T 3> S+ 0 0 162 -2,-0.2 4,-1.5 -3,-0.1 5,-0.1 0.750 85.5 132.4 62.7 24.4 6.5 16.4 56.9 182 192 A V H <> + 0 0 4 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.939 68.9 50.9 -71.8 -44.7 8.1 15.9 53.4 183 193 A E H > S+ 0 0 29 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.951 109.6 50.7 -55.2 -51.9 9.8 19.3 53.4 184 194 A A H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 111.8 47.3 -54.2 -40.8 11.3 18.7 56.8 185 195 A H H X S+ 0 0 72 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.909 110.5 52.5 -68.5 -41.7 12.6 15.3 55.6 186 196 A L H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 3,-0.3 0.871 105.3 55.8 -61.5 -37.7 14.0 16.8 52.4 187 197 A R H ><5S+ 0 0 106 -4,-2.5 3,-2.3 1,-0.3 5,-0.4 0.935 105.3 49.8 -61.8 -44.6 15.8 19.5 54.5 188 198 A K H 3<5S+ 0 0 181 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.740 107.7 57.7 -65.0 -19.0 17.6 16.8 56.5 189 199 A L T 3<5S- 0 0 30 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.435 122.7-110.2 -88.5 -2.1 18.4 15.3 53.0 190 200 A G T < 5S+ 0 0 31 -3,-2.3 -3,-0.2 -4,-0.1 -2,-0.1 0.744 74.2 134.2 84.0 26.8 20.1 18.6 52.1 191 201 A L > < - 0 0 0 -5,-1.6 3,-1.6 1,-0.2 -4,-0.2 0.520 49.2-155.4 -84.5 -2.4 17.8 20.3 49.5 192 202 A G T > - 0 0 29 -5,-0.4 3,-2.0 1,-0.3 4,-0.3 -0.302 64.7 -15.0 63.4-150.1 18.1 23.6 51.3 193 203 A Y T 3> S+ 0 0 95 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.501 127.4 75.3 -65.5 -3.3 15.2 26.0 50.7 194 204 A R H <> S+ 0 0 4 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.614 75.3 79.1 -83.6 -11.2 14.1 23.9 47.7 195 205 A A H <> S+ 0 0 0 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.947 95.3 46.6 -58.4 -46.4 12.7 21.4 50.1 196 206 A R H > S+ 0 0 132 -4,-0.3 4,-3.6 -3,-0.3 5,-0.3 0.874 108.6 56.3 -62.7 -40.0 9.7 23.7 50.6 197 207 A Y H X S+ 0 0 75 -4,-0.7 4,-3.4 2,-0.2 5,-0.3 0.939 107.1 47.7 -58.4 -50.7 9.3 24.2 46.9 198 208 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.950 117.4 42.7 -55.9 -50.3 9.0 20.5 46.2 199 209 A S H X S+ 0 0 6 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.965 117.0 46.0 -60.6 -54.6 6.5 20.0 48.9 200 210 A A H X S+ 0 0 35 -4,-3.6 4,-2.7 1,-0.2 5,-0.2 0.920 114.7 47.1 -56.6 -48.2 4.5 23.2 48.1 201 211 A S H X S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.3 -1,-0.2 0.810 108.7 55.4 -65.7 -31.0 4.5 22.4 44.3 202 212 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.960 114.4 39.8 -64.6 -48.3 3.4 18.8 44.9 203 213 A R H X S+ 0 0 88 -4,-2.3 4,-4.0 -26,-0.2 -2,-0.2 0.852 111.7 55.6 -69.0 -38.6 0.4 20.0 47.0 204 214 A A H X>S+ 0 0 10 -4,-2.7 5,-1.2 -5,-0.2 4,-0.5 0.907 110.3 46.8 -62.5 -41.0 -0.4 23.0 44.7 205 215 A I H <5S+ 0 0 0 -4,-1.8 6,-2.7 3,-0.2 4,-0.4 0.896 121.3 36.6 -67.6 -40.5 -0.6 20.6 41.7 206 216 A L H <5S+ 0 0 54 -4,-1.7 -2,-0.2 4,-0.2 4,-0.2 0.882 127.2 34.6 -80.4 -40.0 -2.7 18.1 43.6 207 217 A E H <5S+ 0 0 149 -4,-4.0 -1,-0.2 -5,-0.1 -2,-0.2 0.040 133.5 18.8-106.2 25.6 -4.9 20.5 45.6 208 218 A E T <5S+ 0 0 146 -4,-0.5 -3,-0.2 -3,-0.3 -2,-0.1 0.396 120.5 46.7-159.2 -32.8 -5.3 23.4 43.2 209 219 A Q S > S- 0 0 6 -6,-2.7 3,-1.9 1,-0.2 4,-0.8 -0.475 76.4 -13.4 92.6-161.9 -3.5 17.0 39.7 212 222 A L H 3> S+ 0 0 72 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.784 125.0 65.8 -48.9 -38.1 -1.4 15.0 37.3 213 223 A A H 3> S+ 0 0 64 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.841 95.9 59.4 -56.9 -33.5 -3.9 15.5 34.4 214 224 A W H <> S+ 0 0 34 -3,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.907 111.3 38.5 -62.3 -44.0 -3.1 19.2 34.6 215 225 A L H >X S+ 0 0 0 -4,-0.8 3,-2.2 -3,-0.4 4,-0.5 0.980 114.5 51.3 -69.4 -60.3 0.6 18.6 33.8 216 226 A Q H >< S+ 0 0 102 -4,-2.4 3,-0.9 1,-0.3 4,-0.2 0.787 105.7 59.5 -47.0 -34.6 0.2 15.8 31.3 217 227 A Q H >X S+ 0 0 90 -4,-1.7 3,-1.6 -5,-0.3 4,-0.7 0.728 86.8 73.2 -71.3 -24.0 -2.2 18.0 29.4 218 228 A L H << S+ 0 0 5 -3,-2.2 3,-0.5 -4,-0.5 -1,-0.2 0.774 80.1 75.1 -62.7 -24.3 0.3 20.7 28.9 219 229 A R T << S+ 0 0 85 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.790 101.6 41.1 -58.4 -27.4 2.0 18.5 26.3 220 230 A E T <4 S+ 0 0 153 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.631 105.1 84.4 -93.0 -17.7 -0.9 19.3 23.9 221 231 A S S < S- 0 0 30 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.0 -0.061 90.2 -86.6 -73.3-178.0 -0.9 23.0 25.0 222 232 A S > - 0 0 43 1,-0.1 4,-3.4 29,-0.0 3,-0.4 -0.677 29.6-114.1 -97.0 149.6 1.3 25.7 23.5 223 233 A Y H > S+ 0 0 22 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 0.900 120.3 49.7 -41.2 -54.1 4.8 26.6 24.6 224 234 A E H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.890 115.4 42.9 -54.6 -45.4 3.5 30.0 25.7 225 235 A E H > S+ 0 0 114 -3,-0.4 4,-3.2 2,-0.2 5,-0.2 0.979 115.7 47.5 -65.5 -57.9 0.7 28.4 27.6 226 236 A A H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.931 113.6 46.7 -48.7 -56.6 2.7 25.6 29.2 227 237 A H H X S+ 0 0 33 -4,-3.2 4,-1.5 -5,-0.3 -1,-0.2 0.884 113.8 50.2 -56.2 -41.1 5.5 28.0 30.3 228 238 A K H < S+ 0 0 149 -4,-1.7 4,-0.4 -5,-0.3 3,-0.3 0.952 110.4 48.3 -61.8 -51.8 3.0 30.4 31.7 229 239 A A H >X S+ 0 0 15 -4,-3.2 3,-1.1 1,-0.2 4,-0.6 0.865 107.9 55.9 -58.9 -38.9 1.1 27.6 33.6 230 240 A L H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.881 94.6 64.4 -63.7 -39.9 4.4 26.2 35.1 231 241 A C T 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.654 87.8 74.5 -60.7 -12.4 5.5 29.5 36.7 232 242 A I T <4 S+ 0 0 89 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.978 83.1 82.9 -59.4 -55.1 2.4 29.2 38.8 233 243 A L S X< S- 0 0 3 -3,-1.0 3,-1.4 -4,-0.6 2,-0.2 -0.121 93.6-101.2 -54.6 142.3 4.1 26.5 40.8 234 244 A P T 3 S+ 0 0 48 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.445 106.0 16.9 -67.6 130.6 6.6 27.4 43.7 235 245 A G T 3 S+ 0 0 24 -2,-0.2 2,-0.7 1,-0.2 -97,-0.2 0.347 98.4 113.7 88.3 -8.2 10.2 27.2 42.8 236 246 A V < + 0 0 8 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.870 37.7 154.9-102.7 108.0 9.4 27.2 39.1 237 247 A G > - 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