==== 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 3EWO . 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 . 342 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.5 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 . 1 0.3 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 . 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 . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 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 1 0 0 4 1 4 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 4 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 . 1 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 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 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 0 235 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.0 45.6 10.8 21.6 2 -1 A G - 0 0 69 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.114 360.0 -98.6 96.3 162.3 41.9 11.5 22.2 3 0 A S - 0 0 118 -2,-0.1 2,-0.2 118,-0.1 120,-0.1 -0.870 22.2-123.2-119.0 151.6 38.8 10.2 20.3 4 1 A V - 0 0 35 118,-0.6 3,-0.1 -2,-0.3 90,-0.1 -0.625 50.1 -84.2 -84.3 151.4 36.6 11.7 17.6 5 2 A K - 0 0 187 -2,-0.2 -1,-0.1 88,-0.2 88,-0.0 -0.364 57.6-107.0 -53.7 127.4 32.9 12.0 18.3 6 3 A P - 0 0 93 0, 0.0 118,-0.2 0, 0.0 117,-0.1 -0.312 38.6 -99.3 -61.8 145.6 31.4 8.6 17.5 7 4 A A - 0 0 22 116,-2.2 117,-0.0 1,-0.1 116,-0.0 -0.246 16.2-141.0 -61.4 148.4 29.3 8.4 14.3 8 5 A T S S+ 0 0 102 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.616 82.1 82.3 -86.8 -16.2 25.5 8.5 14.5 9 6 A C S S- 0 0 17 1,-0.1 2,-0.3 28,-0.0 -2,-0.1 -0.498 86.1-109.7 -81.7 163.0 25.2 6.0 11.8 10 7 A E - 0 0 131 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.678 26.3-106.0 -97.7 143.4 25.6 2.3 12.5 11 8 A K - 0 0 145 -2,-0.3 146,-0.1 1,-0.1 2,-0.1 -0.274 41.9-110.9 -56.0 147.1 28.4 -0.1 11.6 12 9 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.416 21.8-113.1 -77.9 165.2 27.6 -2.5 8.8 13 10 A K S S+ 0 0 170 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.797 96.9 2.6 -67.4 -33.3 27.2 -6.3 9.4 14 11 A F S S- 0 0 141 143,-0.1 142,-0.1 142,-0.0 -1,-0.1 -0.943 101.5 -63.3-144.9 170.6 30.2 -6.9 7.3 15 12 A L - 0 0 44 -2,-0.3 2,-0.4 141,-0.1 143,-0.2 -0.275 53.1-163.8 -52.2 128.7 32.9 -5.1 5.4 16 13 A E E -a 158 0A 80 141,-2.4 143,-3.1 139,-0.1 2,-0.4 -0.984 4.5-161.6-125.0 131.2 31.4 -3.1 2.5 17 14 A Y E +a 159 0A 44 -2,-0.4 2,-0.3 141,-0.2 143,-0.2 -0.861 11.7 171.9-109.4 143.1 33.3 -1.7 -0.5 18 15 A K E -a 160 0A 76 141,-2.5 143,-2.8 -2,-0.4 2,-0.3 -0.921 16.0-150.2-133.3 160.6 32.2 1.0 -2.9 19 16 A T E -a 161 0A 41 -2,-0.3 2,-0.3 141,-0.2 143,-0.2 -0.959 11.1-173.6-131.3 156.0 34.3 2.7 -5.6 20 17 A C E -a 162 0A 14 141,-1.9 143,-1.5 -2,-0.3 2,-0.5 -0.938 8.2-160.2-149.0 129.7 34.4 6.0 -7.4 21 18 A V E +a 163 0A 25 -2,-0.3 2,-0.3 141,-0.2 143,-0.2 -0.879 52.8 55.2-103.8 128.3 36.5 7.2 -10.3 22 19 A G S S- 0 0 4 141,-2.2 269,-0.2 -2,-0.5 143,-0.1 -0.869 84.9 -25.9 149.6-175.5 36.9 11.0 -10.7 23 20 A D >> - 0 0 63 267,-1.3 4,-1.7 -2,-0.3 3,-0.8 -0.277 66.5-102.9 -62.5 156.3 37.8 14.3 -9.3 24 21 A L H 3> S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.866 120.9 58.0 -50.8 -42.3 37.7 14.8 -5.6 25 22 A A H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 106.2 49.2 -59.1 -40.7 34.4 16.7 -5.8 26 23 A V H <> S+ 0 0 3 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.884 111.7 49.2 -59.7 -46.5 32.7 13.8 -7.5 27 24 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.938 113.3 45.1 -62.4 -49.7 34.0 11.4 -4.9 28 25 A I H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.861 108.4 58.3 -63.3 -37.8 32.8 13.5 -1.9 29 26 A A H X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.3 227,-0.3 0.943 110.2 43.1 -59.1 -46.8 29.5 14.1 -3.7 30 27 A K H X S+ 0 0 55 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.942 114.9 49.9 -58.0 -52.2 29.0 10.2 -3.7 31 28 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.824 107.1 53.3 -57.9 -39.6 30.2 9.8 -0.1 32 29 A L H < S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.5 42.9 -70.1 -32.7 28.0 12.6 1.3 33 30 A D H < S+ 0 0 46 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.828 123.1 36.4 -76.8 -37.2 25.0 10.9 -0.2 34 31 A E H < S+ 0 0 60 -4,-2.5 2,-0.4 -5,-0.1 -2,-0.2 0.808 116.3 52.5 -84.3 -34.1 26.0 7.3 0.7 35 32 A F < - 0 0 4 -4,-3.0 3,-0.2 -5,-0.2 -1,-0.1 -0.863 65.0-150.8-108.7 133.4 27.5 8.0 4.1 36 33 A K S S- 0 0 134 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.974 90.4 -14.9 -60.0 -49.4 25.8 9.9 6.9 37 34 A E S S+ 0 0 25 -3,-0.1 -1,-0.3 55,-0.0 2,-0.3 -0.959 78.3 177.4-148.8 158.4 29.3 10.9 8.0 38 35 A F E -b 92 0A 0 53,-2.1 55,-2.5 -2,-0.3 56,-0.7 -0.984 30.6-112.3-158.8 158.9 32.7 9.6 7.2 39 36 A C E -bc 94 127A 0 87,-2.6 89,-2.8 -2,-0.3 2,-0.5 -0.871 28.0-147.1 -92.7 131.7 36.4 9.9 7.6 40 37 A I E -bc 95 128A 2 54,-2.2 56,-2.0 -2,-0.5 2,-0.5 -0.904 12.0-140.3-100.0 128.3 38.4 11.0 4.5 41 38 A V E -b 96 0A 0 87,-3.1 2,-0.4 -2,-0.5 56,-0.2 -0.703 13.2-155.1 -88.0 126.7 41.9 9.5 4.2 42 39 A N E -b 97 0A 0 54,-2.7 56,-2.4 -2,-0.5 2,-1.5 -0.879 16.1-136.6-105.4 138.4 44.6 11.8 2.9 43 40 A A E +b 98 0A 34 -2,-0.4 12,-0.4 54,-0.2 56,-0.2 -0.690 50.5 171.5 -90.7 81.2 47.8 10.5 1.2 44 41 A A - 0 0 2 -2,-1.5 56,-0.4 54,-1.1 2,-0.3 -0.207 35.3-126.5 -93.5 171.6 50.0 12.8 3.1 45 42 A N > - 0 0 51 54,-0.1 3,-1.7 -2,-0.1 35,-0.2 -0.733 37.8-103.3-110.0 172.9 53.6 13.5 3.7 46 43 A E T 3 S+ 0 0 79 1,-0.3 34,-2.0 -2,-0.3 36,-0.1 0.731 122.1 54.3 -75.9 -18.9 55.3 13.7 7.1 47 44 A H T 3 S- 0 0 119 32,-0.2 -1,-0.3 34,-0.1 27,-0.1 0.495 103.8-131.5 -84.0 -5.5 55.4 17.6 6.9 48 45 A M < + 0 0 8 -3,-1.7 -2,-0.1 32,-0.2 26,-0.1 0.887 57.8 147.0 51.5 40.0 51.6 17.6 6.2 49 46 A S - 0 0 82 21,-0.0 -1,-0.1 22,-0.0 22,-0.1 0.839 34.9-163.6 -74.5 -39.2 52.5 20.0 3.3 50 47 A H + 0 0 11 1,-0.1 10,-0.1 -7,-0.0 9,-0.1 0.899 36.0 144.0 59.5 37.8 49.7 18.9 0.8 51 48 A G + 0 0 61 8,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.715 60.8 21.1 -83.3 -20.3 51.6 20.6 -2.1 52 49 A G S >> S+ 0 0 45 4,-0.0 4,-1.1 0, 0.0 3,-0.6 -0.900 99.7 2.7-143.4 166.6 50.6 18.0 -4.8 53 50 A G H >> S- 0 0 65 -2,-0.3 4,-1.6 1,-0.2 3,-0.6 -0.043 116.4 -18.5 63.1-151.0 48.2 15.2 -5.9 54 51 A V H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.814 133.7 62.6 -60.6 -33.3 45.3 14.2 -3.8 55 52 A A H <> S+ 0 0 7 -3,-0.6 4,-2.3 -12,-0.4 -1,-0.2 0.857 105.1 49.5 -56.5 -38.7 46.7 15.9 -0.7 56 53 A K H X - 0 0 4 -4,-2.2 4,-1.8 -5,-0.3 3,-1.0 -0.218 33.3 -26.9 97.4-171.8 40.3 25.0 3.1 64 61 A P H 3> S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.762 127.2 58.3 -48.4 -39.5 42.3 27.5 5.1 65 62 A D H 3> S+ 0 0 66 -3,-0.3 4,-2.4 1,-0.2 -2,-0.1 0.879 109.4 45.0 -59.6 -44.2 41.2 26.1 8.5 66 63 A F H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 5,-0.3 0.936 113.1 48.4 -70.6 -43.5 42.6 22.7 7.6 67 64 A V H X S+ 0 0 75 -4,-1.8 4,-2.4 -8,-0.3 -2,-0.2 0.949 114.0 48.2 -60.5 -48.0 45.9 24.0 6.2 68 65 A E H X S+ 0 0 114 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.901 109.6 52.4 -58.9 -46.0 46.4 26.2 9.2 69 66 A Y H X S+ 0 0 79 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.939 113.0 43.3 -54.2 -55.5 45.6 23.3 11.6 70 67 A C H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.890 115.0 51.5 -57.6 -43.0 48.2 20.9 10.0 71 68 A A H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.930 111.9 44.2 -61.7 -47.3 50.7 23.8 9.9 72 69 A D H X S+ 0 0 99 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.855 115.0 51.3 -68.2 -34.1 50.3 24.8 13.6 73 70 A Y H X S+ 0 0 64 -4,-2.1 4,-3.3 -5,-0.3 5,-0.4 0.925 110.4 44.7 -70.7 -48.4 50.5 21.1 14.6 74 71 A V H X S+ 0 0 24 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.883 113.6 52.5 -66.3 -36.3 53.6 20.1 12.7 75 72 A K H < S+ 0 0 192 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.923 117.8 37.7 -64.2 -38.3 55.3 23.3 14.0 76 73 A K H < S+ 0 0 159 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.902 134.3 20.0 -79.6 -41.5 54.4 22.4 17.5 77 74 A H H < S- 0 0 92 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.501 101.3-125.5-109.8 -9.2 54.9 18.6 17.5 78 75 A G < - 0 0 21 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 -0.254 57.9 -16.0 86.7-180.0 57.2 18.0 14.5 79 76 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.183 64.6-154.1 -57.7 148.5 56.6 15.7 11.4 80 77 A Q - 0 0 41 -34,-2.0 -32,-0.2 -35,-0.2 3,-0.1 -0.984 24.0-157.8-131.8 134.2 53.9 13.0 11.8 81 78 A Q S S+ 0 0 119 -2,-0.4 18,-2.9 1,-0.3 2,-0.3 0.609 94.8 18.5 -79.0 -18.9 53.5 9.6 10.1 82 79 A K E +D 98 0A 78 16,-0.2 2,-0.3 -36,-0.1 -1,-0.3 -0.959 66.1 176.7-153.1 135.6 49.8 9.9 10.9 83 80 A L E -D 97 0A 8 14,-1.8 14,-2.7 -2,-0.3 2,-0.8 -0.912 14.8-158.0-145.8 115.9 47.6 12.9 11.9 84 81 A V E +D 96 0A 46 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.840 31.8 169.1 -92.5 111.9 43.9 12.8 12.5 85 82 A T E -D 95 0A 4 10,-2.9 10,-2.4 -2,-0.8 2,-0.1 -0.689 38.4 -88.0-118.3 167.9 42.6 16.3 12.0 86 83 A P - 0 0 42 0, 0.0 8,-0.2 0, 0.0 7,-0.1 -0.404 24.7-157.1 -60.8 155.6 39.3 18.3 11.7 87 84 A S - 0 0 5 5,-0.5 -21,-0.2 6,-0.2 3,-0.1 0.657 17.4-143.3-104.1 -28.2 38.0 18.6 8.2 88 85 A F + 0 0 89 4,-0.2 2,-0.4 1,-0.2 -23,-0.1 0.744 67.0 112.7 62.1 27.4 35.8 21.8 8.8 89 86 A V S > S- 0 0 24 3,-0.5 3,-1.9 152,-0.0 -1,-0.2 -0.998 76.9-112.3-127.2 130.0 33.3 20.2 6.4 90 87 A K T 3 S+ 0 0 135 -2,-0.4 3,-0.1 1,-0.3 -53,-0.0 -0.344 104.1 19.5 -58.0 138.4 29.9 19.1 7.6 91 88 A G T 3 S+ 0 0 22 1,-0.2 -53,-2.1 2,-0.0 2,-0.9 0.199 97.2 104.6 85.8 -22.5 29.6 15.3 7.4 92 89 A I E < -b 38 0A 8 -3,-1.9 -5,-0.5 -55,-0.2 -3,-0.5 -0.875 52.7-168.1 -99.6 106.0 33.4 14.8 7.3 93 90 A Q E - 0 0 42 -55,-2.5 2,-0.3 -2,-0.9 -54,-0.2 0.838 62.9 -35.4 -64.1 -38.1 34.2 13.5 10.8 94 91 A C E -b 39 0A 2 -56,-0.7 -54,-2.2 -8,-0.2 2,-0.5 -0.965 53.6-110.6-171.8 164.8 37.9 14.0 10.3 95 92 A V E -bD 40 85A 0 -10,-2.4 -10,-2.9 -2,-0.3 2,-0.9 -0.982 24.1-153.5-109.3 127.2 40.7 13.7 7.9 96 93 A N E -bD 41 84A 0 -56,-2.0 -54,-2.7 -2,-0.5 2,-0.9 -0.857 8.9-161.2-100.1 102.8 43.1 10.9 8.5 97 94 A N E -bD 42 83A 0 -14,-2.7 -14,-1.8 -2,-0.9 2,-0.5 -0.758 13.9-176.5 -86.0 102.0 46.4 12.0 7.0 98 95 A V E -bD 43 82A 2 -56,-2.4 -54,-1.1 -2,-0.9 2,-0.8 -0.891 20.4-146.6-105.9 129.2 48.5 8.8 6.6 99 96 A V - 0 0 17 -18,-2.9 -54,-0.1 -2,-0.5 -56,-0.1 -0.840 25.5-165.2 -92.7 108.7 52.1 8.8 5.3 100 97 A G - 0 0 10 -2,-0.8 12,-0.1 -56,-0.4 33,-0.0 -0.280 24.5 -85.9 -84.0 176.9 52.6 5.5 3.3 101 98 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 38,-0.2 -0.231 41.6-126.7 -75.0 168.1 55.8 3.8 2.1 102 99 A R > - 0 0 146 1,-0.1 3,-2.3 36,-0.1 36,-0.2 -0.830 35.0 -73.1-118.2 161.0 57.5 4.7 -1.2 103 100 A H T 3 S+ 0 0 142 34,-3.2 36,-0.1 -2,-0.3 -1,-0.1 -0.127 118.8 18.3 -46.5 135.9 58.7 2.7 -4.2 104 101 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 34,-0.1 34,-0.1 0.337 87.4 142.1 83.6 -9.2 61.8 0.6 -3.4 105 102 A D X - 0 0 56 -3,-2.3 3,-0.7 1,-0.1 -1,-0.3 -0.343 56.3-109.5 -66.6 145.5 61.3 0.7 0.4 106 103 A S T 3 S+ 0 0 91 1,-0.2 5,-0.1 -3,-0.1 -1,-0.1 -0.440 99.9 20.1 -75.3 153.6 62.2 -2.5 2.2 107 104 A N T 3> S+ 0 0 92 -2,-0.1 4,-2.3 3,-0.1 -1,-0.2 0.864 79.2 167.9 59.1 35.7 59.4 -4.6 3.6 108 105 A L H <> + 0 0 34 -3,-0.7 4,-2.8 1,-0.2 5,-0.2 0.862 66.6 49.5 -50.0 -47.5 56.9 -2.8 1.3 109 106 A R H > S+ 0 0 170 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.955 111.5 48.0 -66.7 -47.8 53.9 -5.1 1.8 110 107 A E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 113.0 49.4 -54.3 -42.5 54.1 -5.0 5.6 111 108 A K H X S+ 0 0 83 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.918 111.3 49.5 -67.4 -43.6 54.5 -1.2 5.5 112 109 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.931 110.8 48.9 -53.3 -54.8 51.4 -0.9 3.2 113 110 A V H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.910 111.7 50.3 -51.0 -46.7 49.2 -3.2 5.4 114 111 A A H X S+ 0 0 59 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.838 108.7 52.3 -63.2 -35.7 50.2 -1.1 8.5 115 112 A A H X S+ 0 0 7 -4,-1.8 4,-0.6 2,-0.2 3,-0.2 0.952 112.4 43.9 -65.7 -49.6 49.4 2.1 6.7 116 113 A Y H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.5 0.918 110.7 55.3 -63.7 -38.0 45.9 0.9 5.7 117 114 A K H >< S+ 0 0 124 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.866 102.8 57.4 -61.9 -32.1 45.4 -0.5 9.2 118 115 A S H 3< S+ 0 0 32 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.570 86.3 79.6 -74.8 -13.9 46.2 3.0 10.6 119 116 A V H << S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.849 72.4 100.5 -56.7 -36.7 43.3 4.4 8.5 120 117 A L << - 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0 0 33 1,-0.2 4,-1.6 -143,-0.1 3,-0.6 -0.742 61.3-163.7 -94.0 113.5 10.9 26.2 -24.2 334 163 B Q H 3> S+ 0 0 104 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.844 93.8 65.1 -51.1 -35.2 10.1 24.2 -27.3 335 164 B E H 3> S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 101.1 47.1 -59.1 -43.1 11.7 27.1 -29.2 336 165 B H H <> S+ 0 0 23 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.916 112.9 47.9 -67.6 -46.1 15.2 26.4 -27.7 337 166 B I H X S+ 0 0 3 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.901 108.8 54.9 -62.6 -42.3 15.0 22.7 -28.4 338 167 B D H X S+ 0 0 86 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.904 106.3 51.4 -56.2 -45.2 13.9 23.2 -32.0 339 168 B Y H X S+ 0 0 58 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.889 112.1 46.8 -62.6 -38.6 17.0 25.5 -32.6 340 169 B F H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 3,-0.2 0.897 108.5 55.0 -66.8 -41.2 19.2 22.7 -31.2 341 170 B D H < S+ 0 0 81 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 108.0 48.5 -64.1 -32.2 17.5 20.0 -33.3 342 171 B A H < S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.788 107.3 58.5 -72.8 -26.1 18.1 21.9 -36.5 343 172 B T H < 0 0 42 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.733 360.0 360.0 -77.2 -26.4 21.7 22.3 -35.3 344 173 B C < 0 0 90 -4,-1.1 -3,-0.0 -3,-0.1 -4,-0.0 -0.545 360.0 360.0 -77.5 360.0 22.2 18.5 -35.1