==== 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 16-OCT-08 3EWP . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN INFECTIOUS BRONCHITIS VIRUS; . AUTHOR Y.XU,L.CONG,C.CHEN,L.WEI,Q.ZHAO,X.XU,Y.MA,M.BARTLAM,Z.RAO . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.9 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 . 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 . 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 . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 0 0 0 5 2 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 3 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 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 L 0 0 207 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.8 46.4 11.5 21.5 2 -1 A G - 0 0 75 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.076 360.0 -81.2 87.6 172.3 42.6 11.4 22.3 3 0 A S - 0 0 115 118,-0.1 2,-0.1 120,-0.0 120,-0.1 -0.861 31.9-114.4-117.9 153.4 39.7 10.2 20.3 4 1 A V - 0 0 38 118,-0.5 3,-0.1 -2,-0.3 90,-0.1 -0.470 51.6 -85.0 -74.4 150.5 37.5 11.6 17.5 5 2 A K - 0 0 174 88,-0.2 -1,-0.1 -2,-0.1 88,-0.0 -0.414 60.6-102.5 -54.9 128.2 33.8 12.3 18.3 6 3 A P - 0 0 88 0, 0.0 118,-0.2 0, 0.0 117,-0.1 -0.203 36.6 -98.8 -62.9 146.8 32.0 9.0 17.7 7 4 A A - 0 0 23 116,-1.8 4,-0.1 1,-0.1 117,-0.1 -0.171 10.7-150.1 -56.6 145.1 29.9 8.2 14.6 8 5 A T S S+ 0 0 110 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.497 82.8 83.8 -90.4 -8.3 26.1 8.6 14.6 9 6 A C S S- 0 0 26 28,-0.0 2,-0.3 117,-0.0 -2,-0.1 -0.671 82.8-126.5 -85.4 147.2 26.2 5.8 11.9 10 7 A E - 0 0 157 -2,-0.3 -2,-0.1 1,-0.1 115,-0.0 -0.662 28.8 -98.7 -93.5 153.9 26.4 2.2 13.1 11 8 A K - 0 0 143 -2,-0.3 146,-0.2 1,-0.1 -1,-0.1 -0.314 42.0-112.0 -65.2 147.3 29.0 -0.2 11.9 12 9 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 23.4-110.9 -77.1 173.3 28.0 -2.6 9.2 13 10 A K S S+ 0 0 170 1,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.837 98.0 0.3 -71.9 -31.2 27.6 -6.3 9.7 14 11 A F S S- 0 0 140 142,-0.1 -1,-0.1 143,-0.0 142,-0.1 -0.909 101.9 -61.7-146.4 167.5 30.7 -7.0 7.5 15 12 A L - 0 0 45 -2,-0.3 2,-0.4 141,-0.1 143,-0.2 -0.338 52.5-164.6 -51.3 126.8 33.3 -5.0 5.5 16 13 A E E -a 158 0A 87 141,-2.2 143,-2.8 -2,-0.1 2,-0.4 -0.985 2.1-161.8-121.7 129.7 31.5 -3.1 2.7 17 14 A Y E +a 159 0A 54 -2,-0.4 2,-0.3 141,-0.2 143,-0.2 -0.891 12.3 172.4-110.4 141.3 33.3 -1.6 -0.3 18 15 A K E -a 160 0A 69 141,-2.5 143,-2.4 -2,-0.4 2,-0.3 -0.854 15.8-152.8-129.6 165.4 32.2 1.2 -2.7 19 16 A T E -a 161 0A 37 -2,-0.3 2,-0.3 141,-0.2 143,-0.2 -0.939 11.5-174.5-135.9 160.9 34.3 2.9 -5.4 20 17 A C E -a 162 0A 15 141,-1.6 143,-1.3 -2,-0.3 2,-0.4 -0.893 9.6-156.6-156.0 127.2 34.4 6.2 -7.3 21 18 A V E +a 163 0A 20 -2,-0.3 2,-0.2 141,-0.2 143,-0.2 -0.882 52.9 43.4 -99.1 134.8 36.6 7.3 -10.1 22 19 A G S S- 0 0 3 141,-2.3 270,-0.2 -2,-0.4 143,-0.1 -0.747 87.4 -10.6 140.1-167.9 37.2 11.0 -10.7 23 20 A D >> - 0 0 67 268,-1.2 4,-1.9 -2,-0.2 3,-1.0 -0.192 65.9-108.0 -61.7 149.7 38.0 14.4 -9.2 24 21 A L H 3> S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.862 118.1 56.8 -45.7 -47.1 37.9 14.8 -5.4 25 22 A A H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 107.3 49.1 -57.1 -37.5 34.6 16.9 -5.5 26 23 A V H <> S+ 0 0 5 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.904 112.1 49.2 -67.9 -45.7 32.9 14.0 -7.4 27 24 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.958 113.9 43.9 -54.9 -55.9 34.1 11.5 -4.8 28 25 A I H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.864 109.2 58.7 -61.3 -37.6 33.0 13.7 -1.8 29 26 A A H X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.3 228,-0.3 0.958 111.3 41.3 -56.5 -46.4 29.7 14.3 -3.6 30 27 A K H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 3,-0.3 0.964 115.1 50.3 -64.5 -50.4 29.2 10.5 -3.7 31 28 A A H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.886 107.5 53.8 -57.9 -42.0 30.4 10.0 -0.1 32 29 A L H < S+ 0 0 17 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 113.0 43.2 -63.8 -35.8 28.1 12.8 1.4 33 30 A D H < S+ 0 0 29 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.867 123.6 35.4 -73.3 -39.4 25.1 11.2 -0.2 34 31 A E H < S+ 0 0 53 -4,-2.1 2,-0.4 -5,-0.1 -2,-0.2 0.830 120.8 41.9 -84.8 -40.6 26.0 7.5 0.8 35 32 A F < - 0 0 5 -4,-3.2 3,-0.1 -5,-0.2 -1,-0.1 -0.898 67.3-152.9-103.6 131.3 27.7 8.0 4.2 36 33 A K S S+ 0 0 135 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.974 87.1 4.0 -74.9 -32.2 26.0 10.5 6.5 37 34 A E S S+ 0 0 29 -3,-0.1 2,-0.3 55,-0.1 -1,-0.3 -0.976 78.0 160.9-140.3 152.8 29.5 11.1 8.1 38 35 A F E -b 92 0A 0 53,-2.2 55,-2.2 -2,-0.3 56,-0.6 -0.986 37.1-110.4-159.2 163.8 32.9 9.8 7.3 39 36 A C E -bc 94 127A 0 87,-2.5 89,-2.5 -2,-0.3 2,-0.5 -0.881 28.3-147.6 -96.2 134.4 36.7 10.1 7.6 40 37 A I E -bc 95 128A 4 54,-1.9 56,-2.5 -2,-0.4 2,-0.5 -0.912 12.1-140.6-102.0 133.3 38.6 11.1 4.4 41 38 A V E -b 96 0A 0 87,-3.0 2,-0.4 -2,-0.5 56,-0.2 -0.792 12.0-155.0 -93.3 133.4 42.1 9.7 4.1 42 39 A N E -b 97 0A 0 54,-2.5 56,-2.9 -2,-0.5 2,-1.1 -0.867 16.4-135.1-108.2 140.3 44.8 12.0 2.7 43 40 A A E +b 98 0A 33 -2,-0.4 12,-0.4 54,-0.2 56,-0.2 -0.848 49.5 173.4 -93.1 93.1 47.9 10.6 1.0 44 41 A A - 0 0 4 54,-2.1 56,-0.4 -2,-1.1 2,-0.3 -0.395 36.1-126.2-100.7 171.2 50.3 12.9 2.8 45 42 A N > - 0 0 46 54,-0.1 3,-1.8 -2,-0.1 35,-0.1 -0.770 40.9-103.9-105.2 165.2 54.1 13.6 3.3 46 43 A E T 3 S+ 0 0 76 -2,-0.3 34,-2.3 1,-0.3 36,-0.1 0.683 121.8 57.5 -63.1 -17.7 55.5 13.8 6.9 47 44 A H T 3 S- 0 0 113 32,-0.2 -1,-0.3 34,-0.1 27,-0.1 0.620 100.8-134.7 -85.2 -13.6 55.6 17.6 6.6 48 45 A M < + 0 0 8 -3,-1.8 -2,-0.1 32,-0.2 26,-0.1 0.805 57.2 145.0 60.7 31.4 51.9 17.8 5.9 49 46 A S - 0 0 75 21,-0.1 -1,-0.1 1,-0.0 -3,-0.1 0.753 39.8-158.5 -74.4 -26.4 52.8 20.2 3.2 50 47 A H + 0 0 12 1,-0.1 9,-0.1 -5,-0.1 -6,-0.0 0.840 33.3 153.3 57.7 37.7 50.0 19.1 0.8 51 48 A G - 0 0 62 4,-0.1 2,-0.2 5,-0.0 -1,-0.1 0.652 58.8 -4.8 -82.4 -18.2 51.9 20.5 -2.2 52 49 A G S >> S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.866 100.3 33.4-152.6-173.8 50.5 18.2 -5.0 53 50 A G H 3> S- 0 0 55 -2,-0.2 4,-1.4 1,-0.2 3,-0.3 -0.040 117.1 -27.1 60.9-153.2 48.3 15.1 -5.7 54 51 A V H 3> S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.802 135.1 65.8 -65.6 -25.5 45.2 14.4 -3.7 55 52 A A H <> S+ 0 0 6 -3,-0.5 4,-3.3 -12,-0.4 -2,-0.2 0.914 101.7 48.3 -61.5 -41.6 46.8 16.2 -0.7 56 53 A K H X S+ 0 0 101 -4,-1.8 4,-2.6 -3,-0.3 -1,-0.2 0.913 112.5 47.9 -66.2 -44.4 46.7 19.5 -2.6 57 54 A A H X S+ 0 0 37 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.923 114.6 45.9 -62.5 -43.8 43.0 18.9 -3.6 58 55 A I H X S+ 0 0 2 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.947 112.9 50.2 -66.9 -48.2 42.1 18.0 0.0 59 56 A A H X S+ 0 0 7 -4,-3.3 4,-2.0 -5,-0.2 8,-0.3 0.895 113.4 46.1 -50.1 -47.8 44.0 21.0 1.4 60 57 A D H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 116.0 45.7 -65.3 -37.1 42.2 23.3 -1.1 61 58 A F H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.955 114.4 45.2 -72.6 -53.5 38.8 21.8 -0.3 62 59 A C H < S- 0 0 1 -4,-3.3 3,-0.2 -5,-0.2 4,-0.2 0.842 107.2-149.6 -63.9 -37.7 39.1 21.8 3.5 63 60 A G >X - 0 0 3 -4,-2.0 4,-2.1 -5,-0.3 3,-0.6 -0.281 31.0 -41.0 104.0-178.5 40.5 25.3 3.4 64 61 A P H 3> S+ 0 0 85 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.810 128.2 59.2 -60.8 -31.9 42.9 27.6 5.3 65 62 A D H 3> S+ 0 0 74 -3,-0.2 4,-2.6 2,-0.2 -2,-0.1 0.923 111.1 43.5 -58.6 -44.4 41.7 26.5 8.8 66 63 A F H <> S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.2 -1,-0.2 0.920 114.4 48.9 -64.3 -46.3 42.8 23.0 7.7 67 64 A V H X S+ 0 0 70 -4,-2.1 4,-2.4 -8,-0.3 -2,-0.2 0.955 114.0 47.1 -56.3 -48.9 46.0 24.3 6.2 68 65 A E H X S+ 0 0 112 -4,-3.5 4,-2.9 1,-0.2 5,-0.3 0.894 107.7 55.3 -62.3 -46.1 46.7 26.3 9.4 69 66 A Y H X S+ 0 0 82 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.925 112.3 43.4 -50.9 -52.8 45.9 23.3 11.7 70 67 A C H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.881 114.2 48.7 -63.1 -44.2 48.5 21.1 9.9 71 68 A A H X S+ 0 0 55 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.934 114.6 46.6 -64.7 -43.4 51.3 23.8 9.7 72 69 A D H X S+ 0 0 68 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.942 113.4 47.6 -62.3 -45.9 50.8 24.6 13.4 73 70 A Y H X S+ 0 0 40 -4,-2.5 4,-3.2 -5,-0.3 5,-0.4 0.940 114.8 45.0 -65.7 -46.4 50.9 21.0 14.5 74 71 A V H X S+ 0 0 22 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.933 110.7 55.0 -61.8 -44.7 54.0 20.2 12.4 75 72 A K H < S+ 0 0 171 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 118.8 34.6 -52.3 -43.1 55.7 23.4 13.6 76 73 A K H < S+ 0 0 121 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.846 132.3 25.0 -84.7 -37.9 55.1 22.3 17.3 77 74 A H H < S- 0 0 119 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.439 101.8-130.5-108.1 -2.2 55.4 18.5 17.2 78 75 A G < - 0 0 22 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.1 -0.218 56.8 -9.2 76.1-169.8 57.7 18.1 14.1 79 76 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.166 66.1-153.3 -64.8 151.8 57.1 15.7 11.1 80 77 A Q - 0 0 38 -34,-2.3 -32,-0.2 -35,-0.1 3,-0.1 -0.990 25.8-162.0-134.7 132.6 54.3 13.1 11.3 81 78 A Q S S+ 0 0 125 -2,-0.4 18,-2.3 1,-0.3 2,-0.3 0.560 93.5 17.6 -79.1 -19.3 53.8 9.7 9.7 82 79 A K E +D 98 0A 78 16,-0.2 2,-0.3 -36,-0.1 -1,-0.3 -0.949 66.7 177.4-153.4 129.6 50.1 10.0 10.6 83 80 A L E -D 97 0A 8 14,-2.3 14,-2.9 -2,-0.3 2,-0.7 -0.891 13.7-159.6-141.7 119.8 48.0 13.0 11.6 84 81 A V E +D 96 0A 46 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.824 28.6 171.6 -94.6 117.1 44.3 13.0 12.3 85 82 A T E -D 95 0A 3 10,-3.0 10,-2.6 -2,-0.7 -19,-0.1 -0.743 38.5 -91.0-121.3 162.9 43.0 16.5 11.9 86 83 A P - 0 0 43 0, 0.0 8,-0.2 0, 0.0 7,-0.1 -0.348 27.6-154.3 -59.3 158.6 39.7 18.4 11.9 87 84 A S - 0 0 6 5,-0.5 -21,-0.2 6,-0.2 3,-0.1 0.690 15.7-142.2-104.5 -26.7 38.3 18.8 8.4 88 85 A F + 0 0 90 1,-0.2 2,-0.4 4,-0.2 -23,-0.1 0.738 68.4 111.8 59.9 24.8 36.2 22.0 8.9 89 86 A V S > S- 0 0 24 3,-0.5 3,-1.9 0, 0.0 -1,-0.2 -0.997 75.6-115.5-126.6 124.8 33.6 20.3 6.6 90 87 A K T 3 S+ 0 0 119 -2,-0.4 3,-0.1 1,-0.2 -53,-0.0 -0.320 103.1 20.8 -51.6 133.9 30.2 19.2 7.7 91 88 A G T 3 S+ 0 0 21 1,-0.1 -53,-2.2 2,-0.0 2,-0.9 0.216 99.4 103.5 89.8 -16.7 29.8 15.4 7.4 92 89 A I E < -b 38 0A 6 -3,-1.9 -3,-0.5 -55,-0.2 -5,-0.5 -0.829 52.6-170.1-105.8 101.9 33.6 14.9 7.4 93 90 A Q E - 0 0 36 -55,-2.2 2,-0.3 -2,-0.9 -6,-0.2 0.825 62.8 -31.8 -63.8 -38.0 34.5 13.7 10.8 94 91 A C E -b 39 0A 1 -56,-0.6 -54,-1.9 -8,-0.2 2,-0.5 -0.968 53.5-114.0-169.9 162.5 38.2 14.1 10.4 95 92 A V E -bD 40 85A 0 -10,-2.6 -10,-3.0 -2,-0.3 2,-0.8 -0.975 24.1-156.1-106.5 125.7 41.0 13.9 7.8 96 93 A N E -bD 41 84A 0 -56,-2.5 -54,-2.5 -2,-0.5 2,-0.8 -0.912 8.5-159.2-101.6 103.3 43.4 11.1 8.5 97 94 A N E -bD 42 83A 0 -14,-2.9 -14,-2.3 -2,-0.8 2,-0.5 -0.797 13.8-175.5 -86.8 112.9 46.6 12.1 6.8 98 95 A V E -bD 43 82A 1 -56,-2.9 -54,-2.1 -2,-0.8 2,-0.9 -0.923 21.2-142.8-114.5 128.9 48.7 9.0 6.3 99 96 A V - 0 0 20 -18,-2.3 -54,-0.1 -2,-0.5 -56,-0.1 -0.801 24.6-160.2 -89.7 107.2 52.2 9.0 4.9 100 97 A G - 0 0 8 -2,-0.9 12,-0.1 -56,-0.4 33,-0.1 -0.279 22.9 -95.3 -76.0 167.2 52.5 5.9 2.6 101 98 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 38,-0.2 -0.240 38.8-121.7 -76.7 175.6 55.8 4.3 1.5 102 99 A R > - 0 0 145 1,-0.1 3,-2.1 36,-0.1 36,-0.2 -0.746 34.6 -72.0-121.0 163.7 57.7 5.0 -1.7 103 100 A H T 3 S+ 0 0 143 34,-2.7 36,-0.1 1,-0.3 -1,-0.1 -0.263 118.6 14.3 -52.1 130.7 59.0 3.1 -4.8 104 101 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 34,-0.1 3,-0.1 0.372 85.9 144.8 83.5 -3.5 62.0 1.0 -3.8 105 102 A D X - 0 0 56 -3,-2.1 3,-0.7 1,-0.1 -1,-0.3 -0.376 56.6-108.0 -67.5 145.8 61.5 1.1 -0.1 106 103 A S T 3 S+ 0 0 91 1,-0.2 -1,-0.1 2,-0.1 5,-0.1 -0.441 102.0 17.7 -75.4 152.0 62.5 -2.1 1.6 107 104 A N T 3> S+ 0 0 88 -2,-0.1 4,-2.0 1,-0.1 -1,-0.2 0.867 81.2 165.3 57.9 38.6 59.6 -4.3 3.0 108 105 A L H <> + 0 0 34 -3,-0.7 4,-2.2 1,-0.2 5,-0.1 0.856 65.1 50.8 -61.5 -46.6 57.3 -2.2 0.7 109 106 A R H > S+ 0 0 175 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 112.8 46.1 -49.2 -56.1 54.2 -4.6 0.9 110 107 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.817 110.2 53.9 -63.1 -37.7 54.3 -4.7 4.7 111 108 A K H X S+ 0 0 84 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.895 109.2 49.3 -63.0 -39.5 54.7 -1.0 4.9 112 109 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.930 109.2 51.4 -63.1 -44.7 51.6 -0.5 2.7 113 110 A V H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 111.9 47.3 -55.8 -49.9 49.6 -2.9 4.9 114 111 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.834 109.1 54.4 -59.3 -42.6 50.6 -0.9 8.0 115 112 A A H < S+ 0 0 8 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.944 111.0 44.0 -59.1 -50.0 49.7 2.3 6.3 116 113 A Y H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.4 0.878 110.0 56.9 -64.6 -34.3 46.2 1.2 5.5 117 114 A K H >< S+ 0 0 116 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.901 101.0 57.2 -61.4 -36.8 45.9 -0.3 9.0 118 115 A S T 3< S+ 0 0 32 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.581 86.8 81.5 -69.1 -6.9 46.6 3.2 10.4 119 116 A V T < S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.854 70.8 98.7 -63.9 -32.8 43.6 4.5 8.4 120 117 A L < - 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