==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-08 3EKE . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN INFECTIOUS BRONCHITIS VIRUS . AUTHOR Y.PIOTROWSKI,G.HANSEN,R.HILGENFELD . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 0.0 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 . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A > 0 0 95 0, 0.0 3,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.7 49.4 -2.5 22.2 2 3 A T T 3 + 0 0 34 1,-0.3 29,-0.1 26,-0.1 117,-0.1 0.584 360.0 53.4 -75.5 -13.0 48.1 -6.0 21.1 3 4 A C T 3 S+ 0 0 114 2,-0.1 -1,-0.3 116,-0.1 2,-0.3 0.447 102.4 73.3 -93.3 0.5 48.3 -7.7 24.5 4 5 A E S < S- 0 0 127 -3,-2.4 115,-0.0 1,-0.1 0, 0.0 -0.751 99.1 -92.4 -99.2 157.2 46.2 -4.9 26.1 5 6 A K - 0 0 152 -2,-0.3 146,-0.1 1,-0.1 2,-0.1 -0.360 47.0-115.8 -51.5 141.8 42.5 -4.4 25.6 6 7 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.469 22.4-112.2 -72.1 162.6 41.9 -2.0 22.7 7 8 A K S S- 0 0 188 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.838 95.4 -13.1 -62.2 -26.9 40.2 1.3 23.5 8 9 A F S S- 0 0 130 143,-0.1 -1,-0.1 142,-0.0 142,-0.1 -0.941 103.4 -44.6-165.3 171.7 37.2 0.1 21.6 9 10 A L - 0 0 41 -2,-0.3 2,-0.4 140,-0.1 143,-0.2 -0.258 57.0-169.7 -50.6 124.3 36.1 -2.7 19.2 10 11 A E E -a 152 0A 72 141,-2.5 143,-3.0 139,-0.0 2,-0.3 -0.969 4.3-161.4-123.3 141.9 38.7 -3.2 16.4 11 12 A Y E -a 153 0A 54 -2,-0.4 2,-0.3 141,-0.2 143,-0.2 -0.904 10.8-179.3-118.9 148.5 38.3 -5.2 13.2 12 13 A K E -a 154 0A 63 141,-2.4 143,-2.7 -2,-0.3 2,-0.3 -0.905 17.8-148.5-129.7 157.6 40.8 -6.7 10.7 13 14 A T E -a 155 0A 47 -2,-0.3 2,-0.3 141,-0.2 143,-0.2 -0.960 12.8-174.9-130.3 151.0 39.7 -8.7 7.6 14 15 A C E -a 156 0A 9 141,-1.9 143,-1.7 -2,-0.3 2,-0.7 -0.955 15.5-157.8-142.7 122.3 41.2 -11.5 5.7 15 16 A V E +a 157 0A 57 -2,-0.3 2,-0.3 141,-0.2 143,-0.3 -0.912 66.4 80.5 -90.9 109.4 39.9 -13.0 2.4 16 17 A G S S- 0 0 11 141,-1.8 143,-0.1 -2,-0.7 2,-0.1 -0.985 80.1 -77.5 169.6 175.0 41.6 -16.4 2.7 17 18 A D > - 0 0 77 -2,-0.3 4,-2.6 141,-0.1 5,-0.2 -0.292 56.8 -85.9 -96.7-169.7 41.6 -19.7 4.3 18 19 A L H > S+ 0 0 7 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.914 127.0 55.1 -67.2 -43.7 42.6 -20.7 7.9 19 20 A T H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 111.2 43.4 -52.1 -47.7 46.2 -21.0 6.9 20 21 A V H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 115.6 47.3 -68.7 -47.0 46.3 -17.5 5.6 21 22 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.903 110.1 52.8 -65.5 -38.9 44.3 -16.0 8.5 22 23 A I H X S+ 0 0 2 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.917 110.0 48.6 -63.6 -38.2 46.3 -17.7 11.1 23 24 A A H X S+ 0 0 60 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.891 113.2 47.0 -65.9 -44.5 49.5 -16.4 9.6 24 25 A K H X S+ 0 0 64 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.914 113.4 48.6 -61.8 -43.6 48.1 -12.9 9.4 25 26 A A H X>S+ 0 0 0 -4,-2.9 4,-3.4 2,-0.2 5,-1.8 0.912 109.6 52.1 -64.0 -43.4 46.8 -13.2 13.1 26 27 A L H <5S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.4 42.6 -59.1 -35.7 50.3 -14.5 14.3 27 28 A D H <5S+ 0 0 99 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.865 125.7 29.2 -80.7 -37.8 51.8 -11.5 12.6 28 29 A E H <5S+ 0 0 61 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.786 134.2 24.4-100.3 -27.5 49.3 -8.8 13.6 29 30 A F T <5S- 0 0 0 -4,-3.4 2,-1.9 -5,-0.3 -3,-0.2 0.739 74.4-162.1-103.2 -34.8 48.0 -9.9 17.0 30 31 A K S - 0 0 53 4,-0.5 3,-2.6 -2,-0.1 35,-0.2 -0.804 39.1-102.6 -98.2 156.7 29.6 -29.2 15.9 40 41 A E T 3 S+ 0 0 79 -2,-0.3 34,-2.4 1,-0.3 36,-0.1 0.755 122.6 49.8 -35.4 -39.2 28.3 -30.4 19.3 41 42 A H T 3 S- 0 0 96 32,-0.2 -1,-0.3 2,-0.1 27,-0.1 0.418 107.6-125.9 -94.5 5.5 30.5 -33.5 19.1 42 43 A M < + 0 0 13 -3,-2.6 2,-0.2 32,-0.2 -2,-0.1 0.787 52.4 159.3 53.3 36.4 33.6 -31.6 18.2 43 44 A T - 0 0 73 1,-0.1 -4,-0.5 21,-0.1 -1,-0.2 -0.544 31.0-158.9 -86.8 157.4 34.2 -33.6 15.2 44 45 A H + 0 0 52 -2,-0.2 10,-0.1 5,-0.1 3,-0.1 -0.361 40.0 136.3-138.4 47.9 36.4 -32.2 12.5 45 46 A G S S- 0 0 66 1,-0.1 2,-0.3 8,-0.0 -1,-0.1 0.820 72.1 -2.3 -68.2 -31.7 35.5 -34.1 9.3 46 47 A S S >> S+ 0 0 91 -3,-0.1 4,-1.0 0, 0.0 3,-0.6 -0.979 100.2 13.5-154.7 161.1 35.4 -31.1 7.0 47 48 A G H 3> S- 0 0 57 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.411 115.7 -16.6 77.8-143.5 35.6 -27.4 6.5 48 49 A V H 3> S+ 0 0 46 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 136.2 58.5 -70.3 -40.4 37.0 -25.0 9.1 49 50 A A H <> S+ 0 0 11 -3,-0.6 4,-3.0 -12,-0.4 -2,-0.2 0.945 110.9 41.5 -48.4 -58.1 36.7 -27.7 11.8 50 51 A K H X S+ 0 0 91 -4,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.876 114.4 52.9 -56.8 -45.5 38.9 -30.1 9.8 51 52 A A H X S+ 0 0 33 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.907 112.5 43.1 -58.1 -44.4 41.2 -27.2 9.0 52 53 A I H X S+ 0 0 1 -4,-3.0 4,-3.7 2,-0.2 5,-0.4 0.947 114.6 51.2 -68.7 -45.2 41.6 -26.2 12.7 53 54 A A H X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 8,-0.3 0.914 114.2 44.0 -56.8 -45.5 42.0 -29.8 13.7 54 55 A D H < S+ 0 0 97 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.845 116.7 45.8 -70.1 -36.1 44.7 -30.3 11.1 55 56 A F H < S+ 0 0 72 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.945 117.9 41.5 -71.3 -45.3 46.4 -27.1 11.9 56 57 A C H < S- 0 0 11 -4,-3.7 4,-0.3 1,-0.2 3,-0.2 0.828 104.6-149.2 -77.8 -36.0 46.4 -27.6 15.7 57 58 A G X - 0 0 26 -4,-2.4 4,-2.2 -5,-0.4 -1,-0.2 -0.438 33.6 -37.0 107.5-169.0 47.3 -31.3 15.6 58 59 A L H > S+ 0 0 102 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.843 128.0 55.0 -71.0 -34.8 46.7 -34.5 17.4 59 60 A D H > S+ 0 0 96 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 110.9 47.1 -65.7 -38.4 46.8 -33.0 21.0 60 61 A F H > S+ 0 0 6 -4,-0.3 4,-2.0 21,-0.2 -2,-0.2 0.964 115.9 44.4 -65.2 -49.1 44.1 -30.6 20.0 61 62 A V H X S+ 0 0 16 -4,-2.2 4,-2.4 -8,-0.3 -2,-0.2 0.945 114.4 48.0 -64.1 -46.8 42.1 -33.4 18.4 62 63 A E H X S+ 0 0 91 -4,-4.0 4,-2.7 1,-0.2 5,-0.3 0.914 108.7 56.3 -61.1 -37.6 42.6 -35.8 21.3 63 64 A Y H X S+ 0 0 83 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.918 111.0 42.5 -58.0 -45.2 41.7 -33.0 23.7 64 65 A C H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.877 114.4 50.9 -69.4 -40.9 38.3 -32.5 22.0 65 66 A E H X S+ 0 0 105 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.963 112.1 45.1 -63.0 -52.2 37.6 -36.2 21.6 66 67 A D H X S+ 0 0 66 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.900 112.5 54.2 -59.5 -38.7 38.3 -37.0 25.3 67 68 A Y H X S+ 0 0 73 -4,-1.9 4,-3.3 -5,-0.3 5,-0.3 0.918 112.4 40.5 -61.3 -48.6 36.3 -34.0 26.4 68 69 A V H X S+ 0 0 20 -4,-2.1 4,-2.4 3,-0.2 -1,-0.2 0.924 115.7 53.2 -66.8 -43.8 33.2 -35.0 24.5 69 70 A K H < S+ 0 0 176 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.946 121.6 30.7 -51.5 -52.4 33.7 -38.6 25.5 70 71 A K H < S+ 0 0 132 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.814 135.3 25.0 -80.5 -33.8 34.0 -37.7 29.2 71 72 A H H < S- 0 0 119 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.433 102.1-122.8-120.0 3.7 31.7 -34.7 29.3 72 73 A G < - 0 0 23 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.037 56.4 -20.2 78.2 173.8 29.3 -35.1 26.5 73 74 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.130 63.2-152.0 -54.9 150.8 28.5 -32.8 23.6 74 75 A Q - 0 0 41 -34,-2.4 -32,-0.2 -35,-0.2 3,-0.2 -0.975 21.0-163.3-130.7 137.4 29.4 -29.1 24.0 75 76 A Q S S+ 0 0 89 1,-0.4 18,-2.7 -2,-0.4 2,-0.3 0.648 93.5 18.6 -91.5 -21.3 27.9 -26.0 22.4 76 77 A R E S+D 92 0A 95 16,-0.2 2,-0.4 -36,-0.1 -1,-0.4 -0.913 72.2 176.3-145.3 118.1 30.9 -23.9 23.3 77 78 A L E -D 91 0A 7 14,-2.2 14,-2.7 -2,-0.3 2,-0.7 -0.931 13.4-162.1-128.9 111.9 34.2 -25.5 24.1 78 79 A V E +D 90 0A 45 -2,-0.4 12,-0.2 12,-0.2 -43,-0.0 -0.803 27.3 171.2 -89.8 113.6 37.2 -23.4 24.8 79 80 A T E -D 89 0A 3 10,-2.8 10,-2.3 -2,-0.7 2,-0.1 -0.663 39.0 -88.9-118.5 164.0 40.2 -25.7 24.4 80 81 A P - 0 0 48 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 -0.431 27.0-152.3 -61.3 155.1 43.9 -25.4 24.3 81 82 A S - 0 0 6 5,-0.5 -21,-0.2 6,-0.2 3,-0.1 0.775 14.6-145.3 -94.9 -37.3 45.3 -24.8 20.8 82 83 A F + 0 0 100 4,-0.3 2,-0.4 1,-0.2 -23,-0.1 0.700 66.5 110.2 68.0 31.1 48.7 -26.5 21.3 83 84 A V S > S- 0 0 35 3,-0.5 3,-2.1 -26,-0.0 -1,-0.2 -0.997 77.5-112.4-138.9 126.9 50.1 -23.8 19.0 84 85 A K T 3 S+ 0 0 193 -2,-0.4 3,-0.1 1,-0.3 -53,-0.0 -0.353 103.6 21.3 -59.3 134.9 52.3 -21.1 20.1 85 86 A G T 3 S+ 0 0 8 1,-0.1 -53,-1.6 -2,-0.0 2,-0.8 0.193 98.1 103.3 93.4 -18.1 50.6 -17.7 19.8 86 87 A I E < -b 32 0A 6 -3,-2.1 -3,-0.5 -55,-0.2 -5,-0.5 -0.865 53.1-168.5-104.0 106.8 47.1 -19.3 19.9 87 88 A Q E - 0 0 84 -55,-1.9 2,-0.3 -2,-0.8 -54,-0.2 0.803 64.8 -35.6 -64.4 -36.9 45.8 -18.6 23.4 88 89 A C E -b 33 0A 10 -56,-0.7 -54,-1.9 -8,-0.2 2,-0.5 -0.964 53.0-110.0-172.2 169.5 42.9 -21.0 22.8 89 90 A V E -bD 34 79A 0 -10,-2.3 -10,-2.8 -2,-0.3 2,-0.8 -0.982 22.9-155.3-115.7 120.5 40.4 -22.4 20.4 90 91 A N E -bD 35 78A 0 -56,-2.6 -54,-3.0 -2,-0.5 2,-1.0 -0.887 7.4-159.3 -96.8 106.2 36.8 -21.5 21.0 91 92 A N E -bD 36 77A 2 -14,-2.7 -14,-2.2 -2,-0.8 2,-0.5 -0.778 15.5-174.2 -86.6 104.3 34.7 -24.2 19.4 92 93 A V E -bD 37 76A 0 -56,-3.0 -54,-2.7 -2,-1.0 2,-0.7 -0.875 18.5-149.4-107.6 128.8 31.4 -22.5 18.9 93 94 A V - 0 0 32 -18,-2.7 -54,-0.1 -2,-0.5 -56,-0.1 -0.872 24.2-170.8 -95.1 111.9 28.4 -24.4 17.7 94 95 A G - 0 0 27 -2,-0.7 12,-0.1 -56,-0.5 2,-0.1 -0.378 27.7 -79.4 -92.0 179.4 26.2 -22.0 15.7 95 96 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.269 36.5-124.8 -76.5 169.0 22.7 -22.4 14.4 96 97 A R > - 0 0 181 1,-0.1 3,-1.8 -2,-0.1 33,-0.2 -0.739 42.2 -80.5-110.4 153.5 21.7 -24.3 11.2 97 98 A H T 3 S+ 0 0 110 31,-3.2 -1,-0.1 -2,-0.3 3,-0.1 -0.274 115.7 18.6 -60.2 140.7 19.5 -22.7 8.4 98 99 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.311 88.2 144.7 78.1 -8.6 15.8 -22.6 9.0 99 100 A D X - 0 0 57 -3,-1.8 3,-0.6 1,-0.1 -1,-0.2 -0.223 64.4 -88.1 -53.2 152.3 16.3 -23.1 12.8 100 101 A N T 3 S+ 0 0 125 1,-0.2 -1,-0.1 2,-0.1 5,-0.1 -0.374 111.1 6.7 -55.5 140.7 13.8 -21.2 15.0 101 102 A N T 3> S+ 0 0 98 -3,-0.1 4,-2.0 1,-0.1 -1,-0.2 0.907 75.7 177.2 49.1 58.8 15.0 -17.6 15.7 102 103 A L H <> S+ 0 0 21 -3,-0.6 4,-1.5 1,-0.2 5,-0.1 0.852 76.8 49.9 -60.5 -43.7 18.1 -17.8 13.4 103 104 A H H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 111.6 47.2 -63.7 -47.6 19.1 -14.2 14.1 104 105 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.839 113.9 48.2 -62.6 -37.2 18.8 -14.6 17.9 105 106 A K H X S+ 0 0 71 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.768 109.1 52.9 -77.7 -26.3 20.8 -17.8 17.7 106 107 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.897 110.1 48.3 -70.3 -44.8 23.4 -16.2 15.5 107 108 A V H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.915 112.5 49.3 -60.2 -44.2 23.8 -13.3 18.0 108 109 A A H X S+ 0 0 52 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.888 109.2 52.4 -62.4 -42.5 24.1 -15.9 20.8 109 110 A A H < S+ 0 0 3 -4,-1.9 3,-0.3 2,-0.2 4,-0.3 0.943 112.7 44.2 -60.0 -50.7 26.7 -17.9 18.8 110 111 A Y H >X S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 4,-0.5 0.903 107.9 57.1 -64.6 -37.3 28.9 -14.8 18.3 111 112 A K H >< S+ 0 0 122 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.877 100.1 62.2 -61.0 -31.8 28.4 -13.7 22.0 112 113 A N T 3< S+ 0 0 62 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.550 86.5 75.8 -66.7 -11.5 29.9 -17.2 22.8 113 114 A V T <4 S+ 0 0 1 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.843 72.9 95.6 -62.9 -39.9 33.1 -16.1 21.0 114 115 A L << - 0 0 46 -3,-1.0 2,-0.4 -4,-0.5 5,-0.1 -0.350 56.4-169.2 -63.7 136.1 34.2 -14.0 23.8 115 116 A V > - 0 0 21 3,-0.4 3,-2.9 -2,-0.0 -2,-0.0 -0.999 32.8-104.6-130.6 122.2 36.6 -15.6 26.3 116 117 A D T 3 S+ 0 0 163 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.173 106.8 12.7 -48.9 129.3 37.4 -14.0 29.5 117 118 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.329 101.3 113.0 86.4 -14.7 40.9 -12.5 29.4 118 119 A V < + 0 0 16 -3,-2.9 -3,-0.4 1,-0.1 -1,-0.2 -0.819 33.1 168.8 -99.5 131.7 41.1 -12.9 25.6 119 120 A V + 0 0 19 -2,-0.5 33,-3.0 1,-0.2 2,-0.5 0.708 58.7 61.2-112.1 -28.5 41.2 -9.7 23.7 120 121 A N E + e 0 152A 4 31,-0.2 -87,-2.9 -89,-0.1 2,-0.4 -0.924 62.6 179.8-113.3 131.3 42.2 -10.8 20.1 121 122 A Y E -ce 33 153A 1 31,-3.1 33,-3.0 -2,-0.5 2,-0.6 -0.957 27.7-149.2-130.4 141.5 40.1 -13.1 18.1 122 123 A V E -ce 34 154A 0 -89,-3.1 -87,-3.0 -2,-0.4 33,-0.2 -0.955 32.3-175.6-104.1 120.3 40.1 -14.7 14.7 123 124 A V E - e 0 155A 0 31,-2.4 33,-2.3 -2,-0.6 2,-0.2 -0.954 15.9-152.5-125.4 126.6 36.4 -15.2 13.7 124 125 A P E - e 0 156A 7 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.536 37.6 -97.3 -87.8 162.3 34.9 -16.8 10.7 125 126 A V - 0 0 22 31,-1.0 2,-0.2 -2,-0.2 7,-0.1 -0.756 46.3-120.5 -75.6 117.8 31.6 -15.8 9.3 126 127 A L - 0 0 6 -2,-0.6 2,-0.2 9,-0.1 12,-0.1 -0.504 27.5-146.6 -67.8 126.0 29.3 -18.4 10.8 127 128 A S - 0 0 58 -2,-0.2 4,-0.1 1,-0.1 -33,-0.1 -0.638 12.5-147.8 -89.6 151.5 27.6 -20.3 8.0 128 129 A L S S- 0 0 6 5,-0.6 -31,-3.2 2,-0.5 3,-0.1 0.280 72.4 -67.4-100.0 6.2 24.1 -21.6 8.4 129 130 A G S S+ 0 0 59 -33,-0.2 2,-0.4 1,-0.2 -2,-0.1 -0.510 117.0 60.3 147.6 -74.4 24.9 -24.6 6.2 130 131 A I S > S- 0 0 126 1,-0.1 3,-2.6 -2,-0.1 -2,-0.5 -0.751 97.7 -92.9 -90.5 133.5 25.6 -23.7 2.6 131 132 A F T 3 S+ 0 0 126 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.157 109.4 7.2 -44.7 125.9 28.5 -21.3 1.9 132 133 A G T > S+ 0 0 24 1,-0.3 3,-1.6 -7,-0.1 4,-0.3 0.234 86.0 144.1 83.5 -14.5 27.2 -17.7 1.8 133 134 A V T < S- 0 0 52 -3,-2.6 -5,-0.6 1,-0.3 -1,-0.3 -0.426 86.4 -15.0 -65.8 125.1 23.7 -18.5 2.9 134 135 A D T 3> S+ 0 0 54 -2,-0.3 4,-2.2 -3,-0.1 -1,-0.3 0.811 83.2 151.4 43.4 42.3 22.7 -15.6 5.0 135 136 A F H <> S+ 0 0 25 -3,-1.6 4,-3.1 2,-0.2 5,-0.2 0.776 75.6 56.3 -59.2 -30.6 26.3 -14.2 5.5 136 137 A K H > S+ 0 0 114 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.915 108.6 44.2 -69.6 -43.2 24.7 -10.8 5.8 137 138 A M H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 115.0 49.9 -64.8 -40.8 22.6 -12.1 8.7 138 139 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.965 113.5 43.8 -63.8 -48.8 25.6 -13.8 10.1 139 140 A I H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.920 114.3 50.6 -65.1 -42.8 27.9 -10.6 9.9 140 141 A D H X S+ 0 0 66 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.907 109.7 51.2 -58.4 -43.5 25.1 -8.4 11.2 141 142 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.879 106.5 54.6 -59.8 -42.4 24.6 -10.8 14.1 142 143 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.919 107.8 49.0 -56.4 -46.5 28.4 -10.7 14.9 143 144 A R H X S+ 0 0 51 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.892 111.2 49.1 -63.0 -43.0 28.3 -6.9 15.1 144 145 A E H >< S+ 0 0 89 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.945 113.5 48.2 -61.7 -47.6 25.3 -7.0 17.4 145 146 A A H 3< S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 117.0 40.9 -55.7 -42.2 27.1 -9.5 19.5 146 147 A F H >< S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.1 -1,-0.2 0.468 80.2 140.3 -93.0 1.4 30.3 -7.6 19.6 147 148 A E T << S- 0 0 153 -4,-0.8 3,-0.1 -3,-0.8 -3,-0.1 -0.141 79.5 -2.0 -55.9 129.2 28.8 -4.2 20.1 148 149 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.240 95.3 141.7 78.3 -13.4 30.8 -2.1 22.6 149 150 A C < - 0 0 34 -3,-2.3 2,-1.2 1,-0.1 -1,-0.2 -0.260 54.0-133.6 -67.0 145.5 33.3 -4.9 23.3 150 151 A T + 0 0 54 -142,-0.1 2,-0.3 -141,-0.1 -1,-0.1 -0.591 67.4 110.6-100.4 74.2 37.0 -4.0 23.8 151 152 A I - 0 0 7 -2,-1.2 -141,-2.5 -5,-0.2 2,-0.4 -0.867 64.1-124.1-140.1 163.6 38.3 -6.8 21.6 152 153 A R E -ae 10 120A 12 -33,-3.0 -31,-3.1 -2,-0.3 2,-0.5 -0.982 24.2-165.1-116.5 130.4 40.0 -7.1 18.3 153 154 A V E -ae 11 121A 0 -143,-3.0 -141,-2.4 -2,-0.4 2,-0.9 -0.967 14.1-164.6-122.2 118.7 38.4 -9.3 15.6 154 155 A L E -ae 12 122A 0 -33,-3.0 -31,-2.4 -2,-0.5 2,-0.4 -0.896 21.8-162.4 -97.1 99.1 40.1 -10.5 12.5 155 156 A L E -ae 13 123A 0 -143,-2.7 -141,-1.9 -2,-0.9 2,-0.3 -0.692 11.6-175.9 -82.3 131.8 37.1 -11.6 10.5 156 157 A F E +ae 14 124A 12 -33,-2.3 -31,-1.0 -2,-0.4 2,-0.3 -0.962 15.5 161.1-134.9 157.2 37.9 -14.0 7.6 157 158 A S E -a 15 0A 13 -143,-1.7 -141,-1.8 -2,-0.3 6,-0.1 -0.941 44.2-125.0-160.6 151.9 36.1 -15.7 4.8 158 159 A L S S+ 0 0 117 -2,-0.3 2,-0.6 -143,-0.3 -141,-0.1 0.678 94.7 81.8 -72.8 -16.2 37.1 -17.3 1.6 159 160 A S >> - 0 0 17 1,-0.1 4,-1.5 -143,-0.1 3,-0.6 -0.814 63.2-160.5-100.6 120.9 34.7 -14.9 -0.1 160 161 A Q H 3> S+ 0 0 96 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.811 95.1 63.3 -57.4 -33.6 35.6 -11.3 -0.9 161 162 A E H 3> S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 99.8 50.4 -68.7 -32.5 31.9 -10.6 -1.1 162 163 A H H <> S+ 0 0 10 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.936 113.6 46.3 -62.1 -45.2 31.4 -11.4 2.6 163 164 A I H X S+ 0 0 2 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.860 109.2 54.7 -65.2 -36.8 34.3 -9.1 3.4 164 165 A D H X S+ 0 0 71 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.881 106.6 51.6 -66.2 -39.0 32.8 -6.4 1.1 165 166 A Y H X S+ 0 0 38 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.928 110.0 48.3 -63.5 -43.2 29.6 -6.6 3.0 166 167 A F H >X S+ 0 0 8 -4,-1.9 3,-0.7 1,-0.2 4,-0.6 0.968 112.4 51.7 -51.9 -52.7 31.5 -6.2 6.3 167 168 A D H >< S+ 0 0 75 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.864 110.3 45.1 -53.8 -47.8 33.2 -3.3 4.7 168 169 A V H 3< S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.679 112.9 51.8 -76.6 -19.8 30.1 -1.4 3.5 169 170 A T H << S+ 0 0 39 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.408 79.7 123.1 -95.3 1.0 28.3 -1.9 6.8 170 171 A C << 0 0 62 -3,-0.9 -3,-0.0 -4,-0.6 -4,-0.0 -0.434 360.0 360.0 -66.1 133.8 31.2 -0.5 8.9 171 172 A K 0 0 245 -2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.438 360.0 360.0-142.1 360.0 30.1 2.3 11.1