==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-05 1ZM8 . COMPND 2 MOLECULE: NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR M.GHOSH,G.MEISS,A.PINGOUD,R.E.LONDON,L.C.PEDERSEN . 239 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 18.4 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 . 1 0.4 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0 1 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 36 A I 0 0 155 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -25.7 32.8 37.6 18.3 2 37 A S > - 0 0 29 1,-0.2 3,-1.9 3,-0.1 26,-0.0 -0.318 360.0-140.3 -57.7 126.8 29.2 38.1 19.4 3 38 A V G > S+ 0 0 72 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.804 101.7 66.4 -57.4 -28.4 28.9 38.1 23.2 4 39 A H G 3 S+ 0 0 9 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.728 97.1 53.4 -67.0 -21.3 25.6 36.1 22.6 5 40 A L G X + 0 0 31 -3,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.048 69.5 121.4-102.5 26.4 27.6 33.2 21.2 6 41 A L T < S+ 0 0 37 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.930 75.2 49.4 -52.1 -52.8 30.0 32.9 24.2 7 42 A L T 3 S- 0 0 7 -3,-0.3 217,-2.4 1,-0.2 218,-0.5 0.720 120.8-105.2 -61.4 -23.5 28.9 29.2 24.9 8 43 A G < - 0 0 9 -3,-0.8 -1,-0.2 215,-0.2 214,-0.1 -0.734 37.9 -57.6 127.1-177.4 29.4 28.3 21.3 9 44 A N > - 0 0 45 -2,-0.2 3,-1.3 1,-0.1 211,-0.2 -0.869 42.9-160.7-108.3 95.6 27.4 27.6 18.1 10 45 A P T 3 S+ 0 0 10 0, 0.0 210,-2.1 0, 0.0 -1,-0.1 0.774 87.6 24.4 -44.4 -39.8 25.1 24.6 19.0 11 46 A S T 3 S- 0 0 23 208,-0.2 3,-0.1 32,-0.0 210,-0.1 0.259 103.5-112.3-117.1 11.8 24.5 23.5 15.3 12 47 A G < - 0 0 50 -3,-1.3 12,-0.1 1,-0.2 10,-0.1 0.860 52.1-176.0 59.5 34.0 27.5 24.9 13.4 13 48 A A - 0 0 4 10,-0.1 10,-0.2 8,-0.0 -1,-0.2 -0.348 9.3-157.3 -64.7 142.6 25.2 27.3 11.7 14 49 A T B -a 23 0A 59 8,-1.4 2,-2.4 5,-0.2 10,-1.2 -0.954 26.3-118.1-124.6 144.6 26.7 29.5 9.0 15 50 A P S S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 8,-0.1 -0.235 77.4 115.8 -74.3 51.4 25.5 32.9 7.6 16 51 A T > - 0 0 60 -2,-2.4 3,-2.6 6,-0.2 6,-0.2 -0.985 67.2-143.4-129.2 128.4 25.0 31.4 4.2 17 52 A K T 3 S+ 0 0 146 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.617 98.7 78.8 -60.7 -10.4 21.8 31.0 2.2 18 53 A L T 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.701 95.6 44.6 -70.2 -21.5 23.4 27.7 1.1 19 54 A T S X S+ 0 0 52 -3,-2.6 3,-1.7 -5,-0.2 -1,-0.3 -0.620 76.5 168.1-121.3 66.8 22.5 26.2 4.5 20 55 A P T 3 S+ 0 0 42 0, 0.0 16,-2.4 0, 0.0 3,-0.5 0.695 72.1 48.2 -53.4 -30.5 18.8 27.6 4.6 21 56 A D T 3 S+ 0 0 63 14,-0.3 17,-0.1 1,-0.2 -4,-0.1 0.383 119.9 36.4 -97.7 4.9 17.7 25.4 7.5 22 57 A N S < S+ 0 0 44 -3,-1.7 -8,-1.4 -6,-0.2 2,-0.7 -0.360 82.5 161.0-150.9 54.2 20.7 26.2 9.7 23 58 A Y E -aB 14 34A 36 11,-2.6 11,-3.1 -3,-0.5 2,-0.2 -0.743 34.4-134.8 -89.7 110.2 21.2 29.8 8.8 24 59 A L E - B 0 33A 25 -10,-1.2 2,-0.4 -2,-0.7 9,-0.2 -0.427 23.8-177.9 -69.0 131.9 23.3 31.9 11.2 25 60 A M E - B 0 32A 11 7,-2.9 7,-2.4 -2,-0.2 2,-0.5 -0.973 5.7-167.7-134.2 116.3 21.9 35.3 12.1 26 61 A V E + B 0 31A 80 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.923 12.6 168.5-111.0 122.2 23.8 37.7 14.4 27 62 A K - 0 0 26 3,-2.4 -2,-0.0 -2,-0.5 0, 0.0 -0.746 48.0-108.2-120.6 170.2 22.1 40.8 15.7 28 63 A N S S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.2 -24,-0.1 0.804 119.3 45.2 -70.7 -27.2 23.1 43.2 18.5 29 64 A Q S S- 0 0 10 1,-0.3 2,-0.3 17,-0.1 18,-0.2 0.771 128.9 -26.9 -85.8 -28.8 20.4 41.8 20.8 30 65 A Y - 0 0 0 16,-0.1 -3,-2.4 2,-0.0 2,-0.3 -0.973 55.0-120.5-172.6 172.0 20.9 38.1 20.2 31 66 A A E +BC 26 45A 0 14,-2.2 14,-3.0 -2,-0.3 2,-0.3 -0.927 29.7 173.7-127.6 152.5 22.1 35.4 17.7 32 67 A L E -BC 25 44A 0 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.6 -0.975 35.3-125.7-153.8 165.9 20.2 32.6 16.2 33 68 A S E -BC 24 43A 0 10,-1.9 9,-3.3 -2,-0.3 10,-1.1 -0.989 37.0-150.5-112.4 119.0 20.2 29.7 13.7 34 69 A Y E -BC 23 41A 1 -11,-3.1 -11,-2.6 -2,-0.6 2,-0.6 -0.710 7.2-153.3 -95.1 146.3 17.2 30.2 11.4 35 70 A N E >> - C 0 40A 16 5,-2.0 4,-1.9 -2,-0.3 5,-1.1 -0.894 4.6-168.8-121.4 98.5 15.4 27.3 9.8 36 71 A N T 45S+ 0 0 33 -16,-2.4 -15,-0.2 -2,-0.6 -1,-0.2 0.864 87.8 55.7 -52.9 -41.3 13.7 28.4 6.6 37 72 A S T 45S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.1 123,-0.1 0.917 114.2 38.6 -58.2 -47.2 11.8 25.1 6.4 38 73 A K T 45S- 0 0 49 -3,-0.3 122,-2.8 2,-0.2 -1,-0.2 0.671 97.8-133.4 -79.3 -21.3 10.3 25.5 9.8 39 74 A G T <5S+ 0 0 0 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.768 80.5 78.1 71.1 21.2 9.7 29.2 9.7 40 75 A T E S- 0 0 23 -2,-0.4 3,-1.9 91,-0.2 4,-0.2 -0.919 71.2 -80.5-155.6 173.5 22.7 40.9 32.7 50 85 A S G > S+ 0 0 70 -2,-0.3 3,-2.2 1,-0.3 90,-0.0 0.797 118.6 67.5 -53.5 -35.8 21.6 44.2 34.2 51 86 A S G 3 S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.706 95.6 58.1 -61.5 -18.4 23.1 46.3 31.4 52 87 A W G < S+ 0 0 33 -3,-1.9 45,-1.5 46,-0.1 46,-1.0 0.473 95.5 81.4 -88.5 -3.2 20.5 44.8 29.1 53 88 A L < + 0 0 52 -3,-2.2 2,-0.2 44,-0.2 45,-0.1 -0.868 53.7 129.0-109.1 138.2 17.6 46.1 31.3 54 89 A G - 0 0 33 -2,-0.4 44,-0.2 2,-0.2 45,-0.1 -0.684 66.2 -66.2-154.4-151.5 16.2 49.6 31.3 55 90 A N S S+ 0 0 168 43,-0.4 43,-0.2 -2,-0.2 44,-0.1 0.404 75.0 130.2 -98.7 1.3 13.1 51.7 31.1 56 91 A A - 0 0 21 41,-2.6 2,-0.5 1,-0.1 -2,-0.2 -0.279 50.4-140.1 -58.1 139.0 12.1 50.9 27.5 57 92 A E - 0 0 68 1,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.897 22.4-108.5-105.6 129.8 8.4 49.9 27.2 58 93 A R - 0 0 123 -2,-0.5 42,-0.0 1,-0.1 46,-0.0 -0.266 26.4-170.8 -57.4 135.2 7.4 47.1 24.8 59 94 A Q - 0 0 135 41,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.362 29.9-133.9-107.8 1.7 5.6 48.3 21.7 60 95 A D + 0 0 70 1,-0.2 2,-1.4 43,-0.1 44,-0.1 0.867 39.3 168.0 44.5 49.9 4.6 44.8 20.5 61 96 A N - 0 0 51 2,-0.0 -1,-0.2 43,-0.0 2,-0.1 -0.488 13.6-171.8 -91.3 64.4 5.7 45.6 16.9 62 97 A F + 0 0 51 -2,-1.4 46,-0.2 -3,-0.1 45,-0.1 -0.383 22.4 152.0 -57.2 126.1 5.5 42.0 15.6 63 98 A R B -h 108 0B 80 44,-1.7 46,-3.0 -2,-0.1 47,-0.3 -0.994 47.5 -86.1-158.3 159.6 7.0 42.2 12.1 64 99 A P - 0 0 40 0, 0.0 2,-0.9 0, 0.0 12,-0.1 -0.378 45.4-112.1 -69.4 148.2 8.9 40.2 9.4 65 100 A D > - 0 0 2 10,-0.3 3,-1.3 1,-0.1 10,-0.1 -0.727 25.2-164.6 -83.4 109.1 12.7 40.2 9.6 66 101 A K T 3 S+ 0 0 164 -2,-0.9 -1,-0.1 1,-0.3 4,-0.0 0.462 79.9 72.9 -75.8 1.4 13.9 42.2 6.6 67 102 A T T 3 S+ 0 0 90 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.457 71.8 115.7 -92.6 -0.1 17.4 40.8 6.9 68 103 A L S < S- 0 0 5 -3,-1.3 6,-0.1 1,-0.1 -43,-0.0 -0.433 84.2 -85.2 -71.5 141.0 16.3 37.4 5.6 69 104 A P > - 0 0 17 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.166 44.8-113.9 -45.9 131.9 17.8 36.2 2.3 70 105 A A T 3 S+ 0 0 99 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.666 107.9 60.7 -42.3 -33.0 15.6 37.6 -0.6 71 106 A G T 3 S+ 0 0 68 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.615 87.6 88.3 -78.8 -11.2 14.3 34.3 -1.8 72 107 A W S < S- 0 0 35 -3,-2.1 2,-0.5 1,-0.0 -4,-0.0 -0.583 78.9-117.4 -93.6 151.1 12.5 33.2 1.4 73 108 A V - 0 0 91 -2,-0.2 2,-0.5 -37,-0.1 -2,-0.1 -0.716 35.1-132.4 -80.8 127.1 8.9 34.0 2.5 74 109 A R - 0 0 80 -2,-0.5 -8,-0.0 -6,-0.1 -1,-0.0 -0.721 18.7-117.1 -87.1 126.2 9.2 36.0 5.8 75 110 A V - 0 0 4 -2,-0.5 -10,-0.3 -12,-0.1 34,-0.3 -0.348 34.8-162.7 -61.1 139.1 7.0 34.8 8.6 76 111 A T > - 0 0 36 -12,-0.1 3,-1.4 33,-0.1 4,-0.3 -0.841 31.2-113.1-122.4 160.2 4.5 37.4 9.7 77 112 A P G >> S+ 0 0 33 0, 0.0 3,-1.9 0, 0.0 4,-0.9 0.872 113.6 63.3 -61.1 -33.5 2.4 37.9 12.8 78 113 A S G 34 S+ 0 0 71 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.673 86.4 72.3 -65.5 -16.5 -0.8 37.2 10.8 79 114 A M G <4 S+ 0 0 24 -3,-1.4 -1,-0.3 1,-0.2 80,-0.2 0.718 102.0 44.6 -70.5 -17.6 0.4 33.7 10.1 80 115 A Y T X4 S+ 0 0 2 -3,-1.9 3,-1.8 -4,-0.3 5,-0.5 0.738 85.6 118.8 -92.6 -31.0 -0.3 33.0 13.8 81 116 A S T 3< S+ 0 0 55 -4,-0.9 5,-0.0 1,-0.3 -3,-0.0 -0.085 85.5 3.6 -44.0 124.8 -3.7 34.7 13.9 82 117 A G T 3 S+ 0 0 90 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.698 97.4 110.8 71.1 22.2 -6.6 32.4 14.8 83 118 A S S < S- 0 0 41 -3,-1.8 -2,-0.1 2,-0.3 3,-0.1 0.653 84.6-120.6 -98.3 -19.5 -4.3 29.3 15.3 84 119 A G S S+ 0 0 60 1,-0.3 2,-0.4 -4,-0.3 -3,-0.1 0.440 80.3 111.6 91.4 0.4 -4.8 29.1 19.1 85 120 A Y - 0 0 61 -5,-0.5 -1,-0.3 31,-0.1 -2,-0.3 -0.895 65.5-129.7-111.0 137.1 -1.1 29.6 19.5 86 121 A A E -I 115 0C 25 29,-3.2 29,-1.8 -2,-0.4 2,-1.6 -0.521 28.3-108.7 -81.8 151.4 0.6 32.6 21.0 87 122 A R E -I 114 0C 74 -2,-0.2 2,-0.5 27,-0.2 -1,-0.1 -0.668 47.8-155.6 -78.0 92.6 3.4 34.3 19.2 88 123 A G E -I 113 0C 0 25,-1.9 25,-1.7 -2,-1.6 2,-0.1 -0.655 7.4-138.0 -84.8 120.6 6.0 33.1 21.6 89 124 A H E -I 112 0C 16 -2,-0.5 23,-0.2 23,-0.2 18,-0.1 -0.392 11.1-167.5 -65.7 143.8 9.3 35.1 22.1 90 125 A I S S+ 0 0 0 21,-1.8 -1,-0.2 1,-0.4 22,-0.1 0.828 92.3 39.1 -94.8 -55.3 12.3 32.9 22.3 91 126 A A S S- 0 0 0 20,-0.3 -1,-0.4 15,-0.1 5,-0.1 -0.832 108.3-127.1 -88.2 112.0 14.4 35.9 23.5 92 127 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.253 4.2-127.7 -68.7 149.1 11.9 37.7 25.7 93 128 A S G > S+ 0 0 7 1,-0.3 3,-2.3 2,-0.2 13,-0.1 0.923 109.2 58.8 -55.0 -49.0 10.8 41.3 25.5 94 129 A A G 3 S+ 0 0 40 1,-0.3 3,-0.3 3,-0.1 -1,-0.3 0.556 97.5 62.0 -61.7 -9.3 11.5 41.8 29.2 95 130 A D G < S+ 0 0 2 -3,-1.5 -1,-0.3 1,-0.2 2,-0.2 0.466 104.3 49.8 -94.4 -3.1 15.1 40.8 28.7 96 131 A R < + 0 0 0 -3,-2.3 -1,-0.2 -4,-0.2 -43,-0.2 -0.627 63.6 122.6-137.3 76.3 15.7 43.7 26.3 97 132 A T + 0 0 23 -45,-1.5 -41,-2.6 -3,-0.3 -44,-0.2 0.163 42.7 98.9-121.5 17.2 14.5 47.0 27.8 98 133 A K S S+ 0 0 107 -46,-1.0 -43,-0.4 -44,-0.2 2,-0.3 0.919 96.0 7.6 -71.2 -45.1 17.7 49.1 27.8 99 134 A T S > S- 0 0 63 -47,-0.2 4,-2.0 -45,-0.1 5,-0.2 -0.881 74.6-113.8-132.4 166.2 16.8 51.0 24.6 100 135 A T H > S+ 0 0 103 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.902 118.0 48.1 -66.4 -41.9 13.7 51.2 22.4 101 136 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 108.0 55.7 -65.9 -42.8 15.4 49.5 19.4 102 137 A D H > S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.941 112.2 42.0 -54.0 -50.7 16.7 46.7 21.7 103 138 A N H >< S+ 0 0 3 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.924 112.2 53.8 -64.4 -43.3 13.2 45.9 22.8 104 139 A A H >< S+ 0 0 16 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.813 98.1 66.8 -60.6 -29.9 11.7 46.2 19.4 105 140 A A H >< S+ 0 0 6 -4,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.857 91.2 61.4 -60.3 -35.1 14.3 43.8 18.1 106 141 A T T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 -16,-0.2 0.606 94.6 65.5 -69.2 -8.9 12.7 41.0 20.2 107 142 A F T < + 0 0 0 -3,-1.6 -44,-1.7 -4,-0.3 -1,-0.3 0.391 68.7 116.8 -94.9 3.4 9.5 41.4 18.1 108 143 A L B X S-h 63 0B 19 -3,-1.6 3,-2.5 -46,-0.2 -46,-0.1 -0.539 74.2-125.7 -68.7 134.2 11.0 40.3 14.8 109 144 A M G > S+ 0 0 1 -46,-3.0 3,-1.8 1,-0.3 -1,-0.1 0.695 106.2 72.8 -58.1 -19.3 9.1 37.1 13.8 110 145 A T G 3 S+ 0 0 4 -47,-0.3 -69,-0.3 1,-0.3 -1,-0.3 0.664 95.4 54.1 -69.1 -13.4 12.4 35.2 13.5 111 146 A N G < S+ 0 0 0 -3,-2.5 -21,-1.8 -6,-0.1 2,-0.3 0.144 98.0 93.5-103.6 17.8 12.4 35.3 17.3 112 147 A M E < +I 89 0C 0 -3,-1.8 -71,-0.3 -23,-0.2 -23,-0.2 -0.863 44.4 173.4-118.0 146.9 8.9 33.8 17.4 113 148 A M E -I 88 0C 0 -25,-1.7 -25,-1.9 -2,-0.3 2,-0.3 -0.991 42.3 -96.1-147.2 143.1 7.6 30.2 17.7 114 149 A P E +I 87 0C 0 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 -0.461 49.4 175.1 -63.7 122.6 4.1 28.9 18.2 115 150 A Q E -I 86 0C 0 -29,-1.8 -29,-3.2 -2,-0.3 80,-0.1 -0.984 35.4-110.0-132.1 143.0 3.4 28.2 21.9 116 151 A T > - 0 0 5 -2,-0.4 4,-2.5 -31,-0.2 3,-0.5 -0.428 36.7-115.0 -66.7 143.8 0.2 27.2 23.7 117 152 A P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.806 116.0 51.1 -50.0 -34.8 -1.1 30.1 25.9 118 153 A D H >>S+ 0 0 37 79,-0.3 4,-2.1 2,-0.2 5,-0.9 0.876 109.6 48.9 -72.7 -39.0 -0.4 28.1 29.1 119 154 A N H 4>S+ 0 0 0 -3,-0.5 5,-2.7 77,-0.3 6,-1.0 0.969 116.5 43.5 -63.3 -52.5 3.2 27.4 28.1 120 155 A N H <>S+ 0 0 48 -4,-2.5 5,-0.5 4,-0.2 -2,-0.2 0.949 122.0 35.3 -58.0 -57.4 3.8 31.1 27.2 121 156 A R H <5S+ 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.812 133.6 15.6 -71.9 -31.1 2.0 32.7 30.1 122 157 A N T X5S+ 0 0 46 -4,-2.1 4,-3.4 -5,-0.3 5,-0.3 0.795 125.5 26.4-108.5 -82.8 2.9 30.2 32.8 123 158 A T H >X>S+ 0 0 7 -4,-2.0 5,-1.4 1,-0.2 3,-1.0 0.920 108.6 52.1 -61.1 -43.4 18.8 35.8 39.2 135 170 A V H ><5S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.3 -85,-0.2 0.903 101.4 59.5 -60.0 -41.5 20.1 38.8 37.3 136 171 A S H 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.751 98.4 61.3 -59.6 -21.9 18.6 41.2 39.9 137 172 A Q H <<5S- 0 0 137 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.751 130.1 -98.9 -74.2 -24.0 20.9 39.3 42.3 138 173 A G T <<5S+ 0 0 39 -3,-2.1 -3,-0.2 -4,-0.6 -2,-0.2 0.517 78.8 138.5 114.3 14.7 23.8 40.5 40.3 139 174 A K < - 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0 0 66 -2,-2.1 -77,-0.3 -80,-0.1 -78,-0.2 -0.693 61.1-119.7-107.8 157.9 0.7 21.4 25.5 197 232 A P S S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 -79,-0.3 0.885 105.5 36.4 -57.9 -44.5 -2.7 23.2 26.3 198 233 A E S S+ 0 0 176 -80,-0.1 2,-0.3 -81,-0.1 -2,-0.0 -0.965 78.7 163.9-117.4 120.7 -2.5 22.3 29.9 199 234 A L - 0 0 19 -2,-0.5 2,-0.4 -3,-0.1 -4,-0.0 -0.873 46.9 -93.8-132.5 164.6 0.8 22.2 31.7 200 235 A N - 0 0 83 -2,-0.3 5,-0.1 1,-0.2 6,-0.1 -0.655 35.9-139.6 -74.3 129.5 2.4 22.2 35.2 201 236 A N S S+ 0 0 78 -2,-0.4 2,-0.7 -79,-0.1 -75,-0.2 0.718 82.1 85.0 -66.4 -20.4 3.0 25.9 35.9 202 237 A D > - 0 0 63 1,-0.2 3,-1.7 -76,-0.1 4,-0.2 -0.751 65.7-157.9 -88.7 115.8 6.3 25.1 37.5 203 238 A W G > S+ 0 0 3 -2,-0.7 3,-2.3 -80,-0.3 -11,-0.2 0.771 87.4 75.5 -60.5 -25.8 9.1 24.9 34.9 204 239 A R G > S+ 0 0 102 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.763 82.5 67.3 -58.6 -25.6 11.0 22.8 37.5 205 240 A A G < S+ 0 0 58 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.634 101.9 48.3 -70.5 -12.1 8.7 19.9 36.7 206 241 A Y G < S+ 0 0 49 -3,-2.3 -14,-2.5 -4,-0.2 -1,-0.3 0.099 79.5 139.3-116.3 21.6 10.3 19.7 33.2 207 242 A K B < +G 191 0A 52 -3,-1.3 -16,-0.3 -16,-0.2 2,-0.3 -0.385 20.3 164.3 -70.2 142.8 14.0 19.9 34.0 208 243 A V - 0 0 15 -18,-2.3 30,-0.4 -2,-0.1 -18,-0.4 -0.845 38.5 -91.1-144.1 177.7 16.4 17.7 32.1 209 244 A S > - 0 0 16 -2,-0.3 4,-1.6 28,-0.1 3,-0.3 -0.608 32.5-116.5 -94.1 159.0 20.1 17.5 31.6 210 245 A V H > S+ 0 0 2 26,-0.5 4,-2.2 23,-0.3 5,-0.2 0.908 117.2 59.8 -60.0 -38.0 21.9 19.3 28.7 211 246 A D H > S+ 0 0 61 23,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.891 101.1 53.3 -57.5 -39.1 22.9 15.8 27.4 212 247 A E H > S+ 0 0 103 22,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.925 109.5 48.3 -62.4 -41.5 19.2 14.9 27.1 213 248 A L H X S+ 0 0 1 -4,-1.6 4,-3.1 1,-0.2 6,-0.4 0.844 109.7 52.5 -66.3 -33.1 18.7 18.1 25.0 214 249 A E H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.880 110.7 47.3 -69.6 -37.5 21.7 17.2 22.9 215 250 A S H < S+ 0 0 107 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.922 114.8 47.8 -66.8 -42.9 20.2 13.7 22.3 216 251 A L H < S+ 0 0 70 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.925 127.0 23.9 -63.8 -48.2 16.9 15.3 21.5 217 252 A T H < S- 0 0 24 -4,-3.1 -2,-0.2 2,-0.1 -3,-0.2 0.696 93.5-129.8 -93.6 -22.5 18.2 18.0 19.1 218 253 A G < + 0 0 66 -4,-2.6 -4,-0.1 -5,-0.3 -3,-0.1 0.416 66.7 128.9 85.6 -3.5 21.5 16.4 17.9 219 254 A Y - 0 0 50 -6,-0.4 2,-0.6 -5,-0.1 -1,-0.3 -0.352 59.8-131.8 -82.6 165.2 23.3 19.7 18.8 220 255 A D > - 0 0 81 -210,-2.1 3,-0.6 -211,-0.2 -208,-0.2 -0.924 28.5-161.8-119.4 101.2 26.4 20.1 20.9 221 256 A F T 3 + 0 0 2 -2,-0.6 -212,-0.1 1,-0.2 4,-0.1 -0.360 68.1 20.5 -81.8 162.7 25.8 22.9 23.4 222 257 A L T > S+ 0 0 5 1,-0.1 3,-1.9 -214,-0.1 -1,-0.2 0.820 73.5 160.7 49.2 37.3 28.5 24.8 25.3 223 258 A S T < + 0 0 44 -3,-0.6 -215,-0.2 1,-0.3 -1,-0.1 0.633 66.1 60.7 -64.3 -15.6 31.0 23.7 22.7 224 259 A N T 3 S+ 0 0 87 -217,-2.4 -1,-0.3 2,-0.1 2,-0.2 0.587 89.1 91.2 -86.5 -9.5 33.4 26.4 23.7 225 260 A V S < S- 0 0 10 -3,-1.9 -42,-0.1 -218,-0.5 5,-0.0 -0.555 95.5 -90.8 -83.6 149.3 33.7 25.0 27.2 226 261 A S > - 0 0 50 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.325 32.8-125.0 -59.6 138.3 36.4 22.4 27.9 227 262 A P H > S+ 0 0 96 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.889 110.3 54.0 -51.4 -44.8 35.1 18.8 27.3 228 263 A N H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -2,-0.0 0.930 114.1 40.4 -57.4 -48.2 36.1 17.8 30.9 229 264 A I H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.873 113.1 56.2 -69.0 -36.9 34.0 20.6 32.3 230 265 A Q H X S+ 0 0 22 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.944 105.1 52.3 -58.0 -48.8 31.3 20.0 29.8 231 266 A T H X S+ 0 0 94 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.896 109.9 49.0 -55.5 -43.1 31.0 16.4 30.9 232 267 A S H X S+ 0 0 32 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.942 120.5 33.0 -63.7 -49.9 30.6 17.4 34.5 233 268 A I H < S+ 0 0 9 -4,-2.3 -23,-0.3 1,-0.2 -2,-0.2 0.784 115.1 54.4 -81.6 -27.5 27.9 20.0 33.9 234 269 A E H < S+ 0 0 6 -4,-3.1 -23,-2.5 -5,-0.3 -22,-0.3 0.622 105.0 54.3 -83.6 -11.7 26.0 18.5 31.0 235 270 A S H < S+ 0 0 65 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.722 98.0 75.6 -91.1 -24.9 25.3 15.2 32.7 236 271 A K S < S- 0 0 117 -4,-0.6 -26,-0.5 -5,-0.1 2,-0.4 -0.457 71.7-134.6 -89.1 161.4 23.7 16.6 35.8 237 272 A V - 0 0 74 -28,-0.1 -28,-0.1 -2,-0.1 -48,-0.1 -0.935 37.7 -94.8-116.0 135.2 20.2 18.0 36.3 238 273 A D 0 0 21 -30,-0.4 -31,-0.1 -2,-0.4 -49,-0.1 -0.263 360.0 360.0 -51.3 118.0 19.6 21.2 38.3 239 274 A N 0 0 152 -2,-0.1 -1,-0.1 -50,-0.0 -3,-0.0 -0.919 360.0 360.0-108.5 360.0 18.9 20.2 41.8