==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-09 2KEM . COMPND 2 MOLECULE: DNA DC->DU-EDITING ENZYME APOBEC-3G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.HARJES,P.J.GROSS,K.CHEN,Y.LU,K.SHINDO,R.NOWARSKI, . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.6 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 0.5 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 0.5 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 . 23 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 6.2 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 0 0 0 0 1 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A E 0 0 147 0, 0.0 2,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 74.4 2.8 7.2 19.8 2 2 A I - 0 0 100 158,-0.0 0, 0.0 5,-0.0 0, 0.0 0.106 360.0 -48.0-132.7-113.0 3.5 6.1 16.3 3 3 A L S S+ 0 0 16 46,-0.1 4,-0.2 3,-0.1 159,-0.1 0.710 139.0 36.6-105.8 -29.9 2.1 3.1 14.3 4 4 A R S S+ 0 0 178 2,-0.1 3,-0.1 45,-0.1 156,-0.0 0.682 132.2 31.8 -92.7 -22.9 2.8 0.4 16.9 5 5 A H S S- 0 0 109 1,-0.1 2,-0.2 155,-0.1 -2,-0.1 0.870 128.5 -62.7 -97.5 -55.1 1.9 2.8 19.7 6 6 A S - 0 0 34 156,-0.1 155,-0.2 157,-0.1 -2,-0.1 -0.619 38.3-136.2 164.4 135.0 -0.8 5.1 18.2 7 7 A M - 0 0 25 153,-0.3 -4,-0.1 -2,-0.2 154,-0.1 0.314 50.4 -64.3 -79.6-147.0 -1.1 7.6 15.4 8 8 A D >> - 0 0 71 1,-0.1 3,-2.0 153,-0.0 4,-0.8 -0.873 32.6-128.0-111.2 143.0 -2.9 11.0 15.7 9 9 A P T 34 S+ 0 0 61 0, 0.0 4,-0.4 0, 0.0 5,-0.3 0.896 112.7 46.1 -51.2 -46.2 -6.6 11.5 16.4 10 10 A P T 34 S+ 0 0 62 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.050 101.1 77.4 -87.1 26.0 -6.9 13.9 13.4 11 11 A T T <>>S+ 0 0 34 -3,-2.0 4,-1.1 3,-0.1 5,-0.6 0.888 108.8 4.5 -97.2 -65.3 -5.0 11.5 11.2 12 12 A F H X>S+ 0 0 0 -4,-0.8 4,-1.1 3,-0.2 5,-0.7 0.916 133.5 45.1 -90.5 -55.1 -7.2 8.6 10.1 13 13 A T H 45S+ 0 0 52 -4,-0.4 -1,-0.1 3,-0.2 158,-0.0 0.725 124.1 41.8 -62.9 -18.2 -10.6 9.4 11.4 14 14 A F H 45S+ 0 0 140 -5,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.885 135.5 12.3 -91.5 -52.5 -10.0 12.9 10.1 15 15 A N H <5S+ 0 0 68 -4,-1.1 -3,-0.2 1,-0.1 -2,-0.2 0.812 131.7 47.2 -95.8 -40.3 -8.3 12.2 6.8 16 16 A F T < S- 0 0 160 1,-0.0 3,-2.1 0, 0.0 0, 0.0 -0.970 103.5 -61.7-178.0-175.2 14.9 20.7 -6.8 61 61 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.0 -2,-0.3 -3,-0.0 0.786 119.1 74.2 -58.7 -27.5 17.5 18.3 -8.0 62 62 A F T 3 + 0 0 153 1,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.733 65.7 115.4 -58.2 -21.9 16.2 15.8 -5.4 63 63 A L < + 0 0 87 -3,-2.1 -5,-0.1 1,-0.2 -7,-0.1 -0.314 28.2 150.6 -54.5 94.5 13.2 15.3 -7.7 64 64 A E - 0 0 130 -2,-1.0 -1,-0.2 -8,-0.3 -8,-0.1 0.740 53.3-125.9 -98.8 -31.1 13.8 11.7 -8.5 65 65 A G + 0 0 25 -9,-1.1 2,-0.4 -10,-0.4 -9,-0.3 0.889 60.8 132.9 85.6 43.9 10.2 10.7 -9.1 66 66 A R - 0 0 67 -11,-0.7 -1,-0.3 -10,-0.3 2,-0.2 -0.993 36.5-158.6-132.0 132.9 9.9 7.8 -6.7 67 67 A H >> - 0 0 3 -2,-0.4 4,-2.5 -12,-0.1 3,-0.8 -0.561 46.0 -84.0-103.4 170.1 7.3 7.0 -4.1 68 68 A A H 3> S+ 0 0 0 -14,-1.9 4,-2.1 1,-0.3 -16,-0.3 0.802 130.4 60.3 -38.2 -36.0 7.2 4.8 -0.9 69 69 A E H 3> S+ 0 0 0 2,-0.3 4,-2.4 -15,-0.3 3,-0.5 0.973 105.1 42.9 -60.5 -55.1 6.5 2.0 -3.4 70 70 A L H <> S+ 0 0 9 -3,-0.8 4,-0.9 1,-0.3 -1,-0.2 0.838 111.5 58.7 -60.1 -26.3 9.7 2.5 -5.3 71 71 A C H X S+ 0 0 15 -4,-2.5 4,-1.4 1,-0.2 3,-0.5 0.894 103.4 50.2 -67.2 -36.6 11.0 2.8 -1.8 72 72 A F H X S+ 0 0 3 -4,-2.1 4,-1.6 -3,-0.5 3,-0.3 0.905 100.9 61.9 -65.8 -40.4 9.7 -0.7 -1.3 73 73 A L H < S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.809 106.8 47.3 -54.4 -28.3 11.5 -1.7 -4.5 74 74 A D H X S+ 0 0 87 -4,-0.9 4,-1.4 -3,-0.5 5,-0.3 0.801 99.3 66.0 -83.1 -32.3 14.6 -0.7 -2.5 75 75 A V H X S+ 0 0 8 -4,-1.4 4,-3.9 -3,-0.3 6,-0.3 0.895 98.8 55.5 -56.9 -40.0 13.5 -2.6 0.6 76 76 A I H X>S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 5,-1.5 0.979 104.5 49.0 -55.9 -64.5 13.9 -5.9 -1.3 77 77 A P H 45S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.775 124.4 34.2 -48.1 -29.3 17.6 -5.3 -2.4 78 78 A F H <5S+ 0 0 152 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.780 108.3 66.5 -94.7 -34.3 18.4 -4.5 1.2 79 79 A W H <5S- 0 0 40 -4,-3.9 -3,-0.2 -5,-0.3 3,-0.1 0.700 101.3-130.2 -55.3 -27.2 15.9 -7.0 2.6 80 80 A K T X> - 0 0 91 -4,-1.6 4,-2.9 1,-0.2 5,-1.3 0.733 41.1-167.4 73.2 19.6 18.0 -9.7 1.2 81 81 A L B 4< -f 85 0C 1 -5,-1.5 2,-2.1 -6,-0.3 5,-0.3 -0.163 58.5 -14.7 -47.0 122.2 14.6 -10.7 -0.0 82 82 A D T 45S+ 0 0 80 3,-2.4 4,-0.3 1,-0.2 -1,-0.2 -0.435 127.7 71.9 79.6 -63.8 14.5 -14.2 -1.4 83 83 A L T 45S+ 0 0 103 -2,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.820 126.4 9.2 -51.0 -30.2 18.3 -14.5 -1.7 84 84 A D T <5S- 0 0 104 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.680 145.2 -12.1-117.1 -40.3 18.2 -14.7 2.1 85 85 A Q B < -f 81 0C 76 -5,-1.3 -3,-2.4 2,-0.0 2,-0.5 -0.876 59.0-129.9-167.9 132.0 14.4 -15.0 2.9 86 86 A D E -D 37 0B 27 -49,-1.1 -49,-3.5 -4,-0.3 2,-0.3 -0.761 28.6-170.5 -90.2 123.8 11.2 -14.6 0.9 87 87 A Y E -D 36 0B 45 -2,-0.5 29,-1.9 -51,-0.2 2,-1.1 -0.868 25.2-129.2-114.9 149.4 8.7 -12.3 2.6 88 88 A R E -De 35 116B 100 -53,-1.0 -53,-0.5 -2,-0.3 2,-0.3 -0.773 31.9-160.4 -97.5 91.7 5.0 -11.7 1.7 89 89 A V E +De 34 117B 2 27,-1.8 29,-1.3 -2,-1.1 2,-0.3 -0.575 17.0 176.3 -78.8 133.6 4.8 -7.9 1.6 90 90 A T - 0 0 12 -57,-1.3 -57,-0.3 -2,-0.3 29,-0.2 -0.819 10.9-172.2-138.0 91.7 1.5 -6.2 1.9 91 91 A C - 0 0 2 -2,-0.3 29,-3.3 -59,-0.2 2,-0.5 -0.545 14.4-145.0 -87.0 152.1 1.7 -2.5 2.0 92 92 A F E +Ab 31 120A 3 -61,-1.8 -61,-1.5 27,-0.3 2,-0.2 -0.910 24.9 172.9-121.2 104.0 -1.2 -0.1 2.7 93 93 A T E - b 0 121A 1 27,-2.5 29,-0.8 -2,-0.5 -63,-0.2 -0.649 42.5-119.0-107.3 165.6 -1.2 3.2 0.8 94 94 A S S S- 0 0 10 -65,-0.4 -73,-0.6 -2,-0.2 29,-0.4 0.778 91.4 -15.9 -71.5 -27.6 -3.7 6.0 0.6 95 95 A W S S- 0 0 0 1,-0.2 29,-0.2 26,-0.2 -2,-0.1 -0.861 93.4 -45.5-157.7-170.0 -4.0 5.5 -3.2 96 96 A S - 0 0 0 27,-1.2 -1,-0.2 -2,-0.2 -2,-0.1 0.078 44.1-129.3 -61.0 177.8 -2.4 3.9 -6.3 97 97 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.898 44.8 -96.7 -95.0 -72.3 1.4 4.2 -7.1 98 98 A C > - 0 0 2 33,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.640 19.4-102.7 153.6 149.9 1.9 5.4 -10.7 99 99 A F H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.898 119.4 58.7 -58.7 -42.7 2.6 4.1 -14.2 100 100 A S H > S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.884 108.2 46.1 -55.1 -38.0 6.3 5.0 -14.0 101 101 A C H >>S+ 0 0 0 -3,-0.3 4,-3.6 1,-0.2 5,-0.6 0.815 100.0 70.1 -73.5 -29.4 6.4 2.8 -11.0 102 102 A A H X5S+ 0 0 4 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.882 105.1 40.2 -53.2 -40.4 4.6 0.2 -13.0 103 103 A Q H X5S+ 0 0 149 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.868 119.0 46.2 -77.0 -39.2 7.7 -0.2 -15.1 104 104 A E H X5S+ 0 0 88 -4,-1.5 4,-1.7 2,-0.2 5,-0.3 0.974 118.1 39.2 -67.8 -57.0 10.1 -0.0 -12.1 105 105 A M H X>S+ 0 0 0 -4,-3.6 4,-3.3 2,-0.2 5,-1.0 0.826 116.8 54.9 -63.3 -31.8 8.2 -2.4 -9.8 106 106 A A H XXS+ 0 0 4 -4,-1.0 5,-3.6 -5,-0.6 4,-1.6 0.990 103.9 50.1 -65.5 -60.9 7.5 -4.6 -12.8 107 107 A K H <5S+ 0 0 97 -4,-2.3 -1,-0.2 3,-0.3 -2,-0.2 0.858 124.6 31.7 -43.9 -45.2 11.0 -5.1 -14.0 108 108 A F H <>S+ 0 0 42 -4,-1.7 5,-1.1 3,-0.2 -1,-0.2 0.899 139.9 17.6 -82.8 -47.4 12.0 -6.1 -10.4 109 109 A I H <5S+ 0 0 1 -4,-3.3 -3,-0.3 -5,-0.3 6,-0.2 0.816 136.2 34.0 -94.8 -38.9 8.9 -7.7 -9.2 110 110 A S T <> S+ 0 0 2 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.236 97.1 90.9 80.5 -48.2 -2.4 5.4 -12.5 132 132 A Q H 3> S+ 0 0 66 -2,-1.6 4,-1.2 -7,-0.4 -1,-0.1 0.853 90.9 46.0 -45.1 -40.2 -4.7 2.8 -14.0 133 133 A E H 3> S+ 0 0 89 -4,-0.2 4,-2.1 2,-0.2 5,-0.4 0.836 104.0 64.6 -73.0 -33.9 -1.7 1.5 -15.9 134 134 A G H <> S+ 0 0 0 -3,-0.6 4,-1.3 1,-0.2 -2,-0.2 0.934 112.4 31.6 -54.7 -51.3 0.4 1.7 -12.8 135 135 A L H X>S+ 0 0 0 -4,-1.7 4,-2.3 3,-0.2 5,-0.5 0.744 111.2 71.6 -79.0 -24.1 -1.6 -0.9 -10.9 136 136 A R H X5S+ 0 0 88 -4,-1.2 4,-1.0 -5,-0.4 -2,-0.2 0.976 110.1 26.7 -54.2 -64.1 -2.3 -2.7 -14.2 137 137 A T H X>S+ 0 0 38 -4,-2.1 5,-1.8 2,-0.2 4,-1.1 0.842 128.8 48.2 -70.4 -33.3 1.2 -4.1 -14.7 138 138 A L H ><>S+ 0 0 0 -4,-1.3 5,-3.2 -5,-0.4 3,-2.1 0.997 112.0 43.1 -69.7 -67.8 1.9 -4.1 -11.0 139 139 A A H 3<5S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.774 113.3 59.4 -49.0 -24.8 -1.2 -5.7 -9.7 140 140 A E H 3< S- 0 0 11 -2,-1.7 4,-3.1 29,-0.1 7,-0.2 -0.337 72.6 -58.4-108.1-169.6 -12.0 -0.8 1.3 150 150 A Y H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.817 137.9 44.0 -38.2 -45.1 -14.0 -1.7 4.5 151 151 A S H > S+ 0 0 69 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.978 119.5 39.1 -68.4 -55.5 -12.0 -4.9 4.8 152 152 A E H > S+ 0 0 32 -5,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.675 114.7 62.3 -66.8 -15.5 -8.6 -3.3 4.0 153 153 A F H X S+ 0 0 1 -4,-3.1 4,-3.8 2,-0.2 5,-0.3 0.984 98.4 47.9 -73.7 -62.4 -9.9 -0.5 6.1 154 154 A K H X S+ 0 0 107 -4,-2.6 4,-1.7 1,-0.3 -2,-0.2 0.878 120.4 43.2 -45.4 -38.9 -10.4 -2.3 9.4 155 155 A H H < S+ 0 0 83 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.3 0.895 115.2 48.3 -73.9 -41.3 -6.9 -3.5 8.7 156 156 A C H >X>S+ 0 0 1 -4,-2.2 4,-1.5 -7,-0.2 3,-1.2 0.971 109.7 52.1 -62.1 -54.8 -5.7 -0.1 7.5 157 157 A W H >X5S+ 0 0 2 -4,-3.8 4,-2.0 1,-0.3 3,-0.6 0.932 117.7 36.7 -45.2 -60.2 -7.2 1.7 10.6 158 158 A D H 3<5S+ 0 0 65 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.544 104.3 77.7 -73.2 -5.6 -5.4 -0.6 13.0 159 159 A T H <45S- 0 0 6 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.942 124.6 -5.2 -68.0 -47.2 -2.4 -0.6 10.6 160 160 A F H <<5S+ 0 0 49 -4,-1.5 2,-1.0 -3,-0.6 -153,-0.3 0.724 134.7 58.8-113.5 -43.6 -1.3 2.8 11.7 161 161 A V << - 0 0 3 -4,-2.0 -1,-0.2 -5,-0.5 -2,-0.1 -0.778 67.8-160.6 -94.6 98.0 -4.0 3.9 14.2 162 162 A D - 0 0 31 -2,-1.0 -1,-0.2 -3,-0.1 -4,-0.1 0.849 57.8 -87.6 -43.0 -42.4 -4.1 1.2 16.9 163 163 A H > - 0 0 87 -6,-0.1 3,-2.5 -3,-0.1 -1,-0.1 -0.061 35.2-149.2 158.7 -40.3 -7.6 2.4 17.7 164 164 A Q T 3 S- 0 0 108 1,-0.3 -158,-0.0 3,-0.0 -2,-0.0 0.790 92.7 -33.6 49.6 27.5 -7.2 5.2 20.3 165 165 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 0.323 130.0 96.4 110.0 -4.9 -10.5 4.0 21.6 166 166 A A < - 0 0 23 -3,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.962 53.6-164.5-121.7 115.6 -11.9 3.0 18.2 167 167 A P S S- 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.995 73.0 -11.0 -58.9 -70.9 -11.7 -0.7 17.0 168 168 A F - 0 0 113 -11,-0.1 -14,-0.1 -10,-0.1 -13,-0.0 -0.950 67.0-123.2-133.8 153.4 -12.4 -0.2 13.3 169 169 A Q - 0 0 31 -2,-0.3 3,-0.1 1,-0.1 -15,-0.1 -0.711 9.8-157.2 -96.5 145.7 -13.6 2.6 11.2 170 170 A P + 0 0 85 0, 0.0 2,-3.2 0, 0.0 4,-0.2 0.937 22.6 163.8 -85.3 -55.6 -16.7 2.3 8.9 171 171 A W - 0 0 14 1,-0.1 2,-2.0 2,-0.1 -154,-0.0 -0.342 20.6-167.8 69.6 -66.8 -16.2 5.0 6.2 172 172 A D S >> S+ 0 0 128 -2,-3.2 3,-3.3 1,-0.2 4,-0.9 -0.409 73.5 76.2 81.9 -62.1 -18.9 3.4 4.0 173 173 A G H 3> S+ 0 0 17 -2,-2.0 4,-1.7 1,-0.3 3,-0.3 0.775 85.5 65.5 -51.1 -26.8 -18.0 5.5 1.0 174 174 A L H 3> S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.737 92.6 61.9 -69.4 -19.5 -15.0 3.1 0.6 175 175 A D H <> S+ 0 0 79 -3,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.896 101.2 51.8 -70.5 -38.9 -17.6 0.4 -0.1 176 176 A E H X S+ 0 0 112 -4,-0.9 4,-1.7 -3,-0.3 3,-0.4 0.947 112.1 44.3 -60.9 -48.8 -18.7 2.3 -3.1 177 177 A H H X>S+ 0 0 34 -4,-1.7 4,-2.2 1,-0.2 5,-0.9 0.731 102.9 71.8 -67.6 -20.6 -15.1 2.5 -4.3 178 178 A S H X5S+ 0 0 11 -4,-1.0 4,-1.2 1,-0.2 5,-0.4 0.958 105.7 34.1 -59.1 -52.0 -14.9 -1.1 -3.4 179 179 A Q H X5S+ 0 0 144 -4,-1.6 4,-0.8 -3,-0.4 -1,-0.2 0.821 130.3 38.9 -72.4 -31.2 -17.0 -2.2 -6.3 180 180 A D H X5S+ 0 0 68 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.971 119.8 40.1 -80.2 -69.7 -15.6 0.6 -8.4 181 181 A L H X5S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.908 121.9 44.9 -45.2 -52.9 -11.9 0.7 -7.4 182 182 A S H XX S+ 0 0 69 -4,-2.0 4,-3.9 -3,-0.5 3,-0.5 0.929 100.6 58.2 -75.1 -46.2 -10.9 -1.2 -12.0 185 185 A L H 3X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.902 112.3 43.0 -48.6 -42.9 -8.1 -3.4 -10.8 186 186 A R H 3X S+ 0 0 152 -4,-1.9 4,-0.7 1,-0.2 6,-0.6 0.756 117.3 47.2 -74.1 -26.2 -9.8 -6.1 -12.8 187 187 A A H << S+ 0 0 21 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.772 121.0 35.3 -86.1 -28.9 -10.3 -3.7 -15.7 188 188 A I H >< S+ 0 0 13 -4,-3.9 3,-1.0 3,-0.2 -3,-0.2 0.831 107.9 65.1 -91.3 -39.0 -6.8 -2.3 -15.7 189 189 A L H 3< S+ 0 0 26 -4,-2.5 -3,-0.2 -5,-0.5 -2,-0.1 0.907 127.3 10.7 -50.3 -49.2 -5.0 -5.5 -14.8 190 190 A Q T 3< S- 0 0 150 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 -0.052 108.1-105.2-122.5 31.1 -6.0 -7.2 -18.0 191 191 A N < + 0 0 142 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.2 0.785 65.8 168.9 50.9 27.6 -7.4 -4.1 -19.9 192 192 A Q - 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