==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 23-DEC-08 2ZXF . COMPND 2 MOLECULE: GLYCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.T.GUO,X.L.YANG,P.SCHIMMEL . 530 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.2 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 . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 4 2 1 2 0 2 4 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 3 5 7 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 1 0 1 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 64 A I 0 0 204 0, 0.0 2,-0.3 0, 0.0 333,-0.0 0.000 360.0 360.0 360.0 103.3 19.2 -33.2 63.3 2 65 A V - 0 0 43 396,-0.0 2,-0.7 5,-0.0 392,-0.1 -0.776 360.0-120.3-115.8 163.2 19.3 -30.3 60.9 3 66 A D > - 0 0 78 -2,-0.3 4,-0.9 1,-0.2 5,-0.2 -0.792 19.1-172.0-112.1 94.8 21.1 -29.9 57.5 4 67 A R H >> S+ 0 0 85 -2,-0.7 4,-3.0 2,-0.2 3,-0.8 0.845 81.4 58.4 -48.0 -47.1 23.5 -27.0 57.4 5 68 A A H 3> S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.966 107.9 42.5 -47.8 -73.5 24.2 -27.3 53.7 6 69 A K H 3> S+ 0 0 54 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.559 122.2 41.6 -53.3 -14.1 20.6 -26.9 52.4 7 70 A M H <>S+ 0 0 0 -4,-4.1 3,-1.1 2,-0.2 5,-1.0 1.000 114.8 40.3 -63.5 -68.8 19.4 -18.5 53.8 12 75 A K H ><5S+ 0 0 50 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.795 115.1 53.3 -49.6 -37.1 22.3 -16.9 51.9 13 76 A R H 3<5S+ 0 0 151 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.834 110.5 46.4 -70.4 -32.6 20.4 -17.2 48.6 14 77 A R T <<5S- 0 0 64 -4,-1.5 22,-0.3 -3,-1.1 -1,-0.2 0.128 115.9-119.5 -94.9 20.2 17.3 -15.5 50.1 15 78 A F T < 5 + 0 0 91 -3,-1.1 22,-0.7 2,-0.1 21,-0.3 0.868 69.4 137.4 37.9 61.8 19.6 -12.8 51.5 16 79 A F S >S+ 0 0 115 5,-0.2 5,-0.7 2,-0.1 3,-0.7 0.924 77.7 168.7 36.7 65.3 32.8 -7.8 51.7 22 85 A A G > 5 + 0 0 64 -3,-0.3 3,-3.0 1,-0.2 2,-2.2 0.988 69.4 56.9 -66.3 -62.3 31.8 -10.6 49.4 23 86 A I G 3 5S+ 0 0 150 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.066 110.5 47.8 -60.6 28.9 33.5 -9.2 46.4 24 87 A Y G < 5S- 0 0 191 -2,-2.2 -1,-0.3 -3,-0.7 -2,-0.2 0.232 128.0 -86.9-149.6 3.3 36.7 -9.1 48.4 25 88 A G T < 5 - 0 0 58 -3,-3.0 -3,-0.1 -6,-0.1 -2,-0.1 -0.235 65.0-103.2 113.4 -42.8 36.9 -12.5 49.9 26 89 A G < - 0 0 22 -5,-0.7 2,-0.4 -7,-0.1 -5,-0.2 0.649 23.5-111.4 89.1 114.4 34.9 -11.8 53.0 27 90 A V > - 0 0 68 -7,-0.2 3,-1.2 1,-0.1 -7,-0.4 -0.633 41.0-121.0 -73.9 126.7 36.3 -11.3 56.4 28 91 A S T 3 S+ 0 0 47 -2,-0.4 192,-0.1 1,-0.2 3,-0.1 -0.295 96.2 34.5 -68.1 157.5 35.2 -14.3 58.5 29 92 A G T 3 S+ 0 0 1 190,-0.2 198,-3.0 1,-0.1 199,-0.6 0.425 102.5 97.4 78.7 -3.9 33.2 -13.6 61.6 30 93 A L < + 0 0 35 -3,-1.2 -10,-1.9 196,-0.2 2,-0.3 -0.963 47.2 161.7-123.2 116.6 31.7 -10.7 59.7 31 94 A Y E -A 19 0A 40 -2,-0.5 2,-0.3 197,-0.3 -12,-0.2 -0.917 25.8-137.8-131.4 156.0 28.3 -11.1 58.0 32 95 A D E -A 18 0A 84 -14,-3.2 -14,-1.8 -2,-0.3 2,-0.6 -0.792 15.5-127.8-112.0 158.3 25.7 -8.7 56.7 33 96 A F E -A 17 0A 56 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.1 -0.905 19.3-152.9-114.1 112.7 21.9 -8.9 57.0 34 97 A G > - 0 0 5 -18,-0.8 4,-2.3 -2,-0.6 5,-0.1 0.281 41.5 -79.3 -61.7-165.7 19.8 -8.6 53.8 35 98 A P H > S+ 0 0 92 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.995 129.3 41.8 -67.9 -59.9 16.2 -7.3 53.8 36 99 A V H > S+ 0 0 23 -21,-0.3 4,-0.8 -22,-0.3 -20,-0.2 0.670 116.0 55.3 -60.8 -13.7 14.2 -10.3 55.0 37 100 A G H > S+ 0 0 0 -22,-0.7 4,-3.9 2,-0.2 -1,-0.2 0.924 109.3 44.2 -80.4 -49.9 17.0 -10.8 57.5 38 101 A C H X S+ 0 0 46 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.906 110.9 54.6 -57.7 -45.7 16.7 -7.2 58.8 39 102 A A H X S+ 0 0 32 -4,-3.1 4,-1.0 2,-0.2 -1,-0.2 0.858 115.3 40.3 -57.8 -36.7 12.9 -7.6 58.9 40 103 A L H X S+ 0 0 0 -4,-0.8 4,-1.5 -5,-0.3 -2,-0.2 0.928 114.1 51.9 -76.7 -48.3 13.4 -10.7 61.0 41 104 A K H X S+ 0 0 41 -4,-3.9 4,-1.4 1,-0.2 -2,-0.2 0.847 111.7 47.8 -57.6 -35.6 16.2 -9.2 63.1 42 105 A N H X S+ 0 0 79 -4,-3.2 4,-1.1 -5,-0.2 -1,-0.2 0.825 108.9 53.7 -75.8 -30.8 14.0 -6.2 63.9 43 106 A N H < S+ 0 0 45 -4,-1.0 4,-0.5 -5,-0.3 -2,-0.2 0.731 107.8 50.8 -74.8 -21.3 11.0 -8.3 64.8 44 107 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.850 112.8 44.7 -81.7 -35.7 13.1 -10.3 67.3 45 108 A I H < S+ 0 0 22 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.675 110.6 55.4 -80.0 -18.4 14.4 -7.1 68.9 46 109 A Q T X S+ 0 0 102 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.639 112.2 43.1 -87.1 -16.6 10.9 -5.7 68.9 47 110 A T H >> S+ 0 0 13 -4,-0.5 4,-1.5 2,-0.2 3,-1.0 0.873 110.2 53.4 -88.5 -53.4 9.6 -8.7 70.8 48 111 A W H 3X>S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.3 5,-0.6 0.788 105.9 60.3 -51.8 -25.1 12.5 -8.8 73.1 49 112 A R H 34>S+ 0 0 61 -4,-0.5 5,-2.0 2,-0.2 4,-0.3 0.884 109.9 36.9 -72.3 -40.5 11.5 -5.2 73.7 50 113 A Q H S+ 0 0 83 -3,-1.0 5,-1.5 -4,-0.6 4,-1.0 0.978 112.1 58.1 -69.4 -72.4 8.0 -6.0 75.0 51 114 A H H <5S+ 0 0 7 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.552 129.9 4.4 -28.6 -25.5 9.0 -9.1 76.9 52 115 A F T X5S+ 0 0 7 -4,-0.7 4,-1.8 -5,-0.3 6,-0.5 0.623 128.9 43.1-131.8 -63.3 11.5 -7.1 79.0 53 116 A I T 4XS+ 0 0 21 -5,-0.6 5,-1.3 -4,-0.3 -3,-0.2 0.885 123.8 40.3 -61.9 -35.4 11.8 -3.3 78.7 54 117 A Q T ><> - 0 0 47 0, 0.0 3,-3.0 0, 0.0 4,-0.6 -0.701 28.9-115.4 -86.7 126.5 39.1 4.2 76.7 69 132 A E H >> S+ 0 0 53 -2,-0.5 4,-1.5 107,-0.4 3,-0.8 0.642 109.3 63.9 -17.9 -57.4 41.5 1.6 78.1 70 133 A P H 3> S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.818 101.3 51.9 -46.8 -37.5 41.3 2.8 81.7 71 134 A V H <> S+ 0 0 28 -3,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.852 113.9 41.1 -70.9 -36.6 37.6 1.8 81.9 72 135 A L H <<>S+ 0 0 2 -3,-0.8 5,-2.7 -4,-0.6 6,-1.9 0.569 111.5 59.4 -86.0 -10.4 38.2 -1.7 80.6 73 136 A K H <5S+ 0 0 105 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.872 104.5 49.1 -81.0 -41.0 41.3 -1.9 82.8 74 137 A T H <5S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.827 109.1 50.4 -67.8 -35.9 39.2 -1.3 85.9 75 138 A S T <5S- 0 0 0 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.748 117.6-118.7 -73.9 -21.2 36.6 -3.9 85.1 76 139 A G T >5S+ 0 0 5 -4,-0.4 4,-1.2 -5,-0.1 -3,-0.2 0.780 79.4 123.5 89.4 29.4 39.6 -6.2 84.6 77 140 A H H >< + 0 0 4 -5,-2.7 4,-1.7 2,-0.2 -4,-0.2 0.874 65.7 64.6 -85.7 -42.6 39.0 -6.9 80.9 78 141 A V H 4 S+ 0 0 29 -6,-1.9 -1,-0.2 -9,-0.2 -5,-0.1 0.772 116.8 35.7 -49.4 -22.2 42.4 -5.7 79.8 79 142 A D H 4 S+ 0 0 75 -7,-0.3 -2,-0.2 -6,-0.1 -1,-0.1 0.869 126.2 19.6 -94.8 -86.3 43.5 -8.6 81.9 80 143 A K H < S+ 0 0 144 -4,-1.2 2,-1.0 1,-0.1 -3,-0.2 0.381 91.1 106.0 -74.6 2.6 41.4 -11.8 82.0 81 144 A F < + 0 0 36 -4,-1.7 82,-0.9 -5,-0.2 83,-0.5 -0.706 58.1 74.7 -92.1 101.9 39.4 -11.4 78.8 82 145 A A E -I 162 0D 31 -2,-1.0 2,-0.3 80,-0.3 80,-0.2 -0.990 64.9-106.0 180.0 178.5 40.6 -13.7 76.1 83 146 A D E -I 161 0D 20 78,-2.0 78,-2.1 -2,-0.3 2,-0.5 -0.931 39.4-104.3-125.8 148.5 41.0 -17.1 74.5 84 147 A F E -I 160 0D 44 -2,-0.3 13,-5.1 76,-0.2 2,-0.5 -0.635 41.4-172.0 -77.8 120.7 44.0 -19.4 74.4 85 148 A M E +IJ 159 96D 17 74,-2.5 74,-0.9 -2,-0.5 11,-0.2 -0.963 10.0 175.5-121.1 124.8 45.5 -19.3 71.0 86 149 A V E - J 0 95D 0 9,-1.6 9,-0.7 -2,-0.5 2,-0.2 -0.223 8.3-167.5-103.8-161.2 48.3 -21.6 69.7 87 150 A K E - J 0 94D 89 7,-0.2 69,-4.0 69,-0.2 2,-0.3 -0.678 30.2 -98.5 169.9 135.2 49.7 -21.7 66.2 88 151 A D B -K 155 0E 2 5,-0.7 3,-0.5 67,-0.3 67,-0.3 -0.505 30.9-128.8 -70.4 125.6 52.0 -24.0 64.2 89 152 A V S S+ 0 0 116 65,-2.4 -1,-0.1 -2,-0.3 3,-0.1 0.360 100.5 72.6 -56.7 7.9 55.6 -22.7 64.2 90 153 A K S S- 0 0 154 1,-0.4 2,-0.3 3,-0.1 -1,-0.2 0.939 113.9 -8.7 -84.5 -68.0 55.5 -23.1 60.4 91 154 A N S S- 0 0 88 -3,-0.5 -1,-0.4 2,-0.1 -3,-0.1 -0.846 83.4 -90.8-126.8 164.4 53.3 -20.2 59.4 92 155 A G + 0 0 57 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.862 64.6 147.1 -37.8 -62.8 51.1 -17.8 61.5 93 156 A E - 0 0 77 -6,-0.1 -5,-0.7 1,-0.1 -3,-0.1 0.707 33.9-155.1 15.6 94.6 47.9 -19.8 61.5 94 157 A C E -J 87 0D 42 123,-0.2 2,-0.2 -7,-0.2 -7,-0.2 -0.202 13.5-174.9 -81.0 176.4 46.1 -19.1 64.8 95 158 A F E -J 86 0D 6 -9,-0.7 -9,-1.6 -8,-0.1 2,-0.9 -0.856 36.9-112.3-171.1 132.7 43.6 -21.4 66.6 96 159 A R E > -J 85 0D 35 -2,-0.2 4,-2.0 -11,-0.2 -11,-0.3 -0.664 34.7-148.5 -70.8 111.4 41.6 -21.0 69.7 97 160 A A H >> S+ 0 0 0 -13,-5.1 4,-1.6 -2,-0.9 3,-1.3 0.959 89.6 64.1 -41.8 -73.0 43.5 -23.6 71.7 98 161 A D H 3> S+ 0 0 11 -14,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.696 110.8 34.7 -12.6 -74.1 40.4 -24.6 73.7 99 162 A H H 3> S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.809 109.9 62.9 -62.3 -38.9 38.5 -25.8 70.6 100 163 A L H XX S+ 0 0 19 -4,-2.0 3,-1.2 -3,-1.3 4,-1.1 0.962 108.7 41.9 -54.1 -53.6 41.5 -27.2 68.7 101 164 A L H >X S+ 0 0 7 -4,-1.6 4,-1.6 1,-0.3 3,-0.6 0.884 109.9 58.9 -60.5 -38.3 42.1 -29.8 71.4 102 165 A K H 3X S+ 0 0 82 -4,-1.5 4,-0.5 -5,-0.4 -1,-0.3 0.675 106.1 49.8 -64.9 -17.8 38.4 -30.4 71.7 103 166 A A H << S+ 0 0 34 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.694 103.3 61.2 -92.2 -23.2 38.4 -31.4 68.0 104 167 A H H XX S+ 0 0 51 -4,-1.1 4,-1.4 -3,-0.6 3,-1.2 0.954 109.4 37.8 -68.3 -52.9 41.3 -33.8 68.5 105 168 A L H 3X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.3 5,-0.4 0.822 107.2 65.9 -70.3 -30.3 39.7 -36.1 71.0 106 169 A Q H 3< S+ 0 0 90 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.404 107.4 45.0 -70.5 5.8 36.4 -35.8 69.1 107 170 A K H <> S+ 0 0 140 -3,-1.2 4,-1.5 3,-0.1 -2,-0.2 0.642 113.3 46.8-113.9 -37.5 38.4 -37.6 66.4 108 171 A L H < S+ 0 0 57 -4,-1.4 3,-0.4 2,-0.2 -2,-0.2 0.979 114.9 44.9 -68.9 -57.7 40.0 -40.2 68.6 109 172 A M T < S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.806 115.6 49.1 -56.4 -33.7 36.7 -41.2 70.4 110 173 A S T 4 S+ 0 0 92 -5,-0.4 2,-0.3 3,-0.1 -1,-0.2 0.801 91.0 90.6 -78.2 -31.2 34.9 -41.2 67.1 111 174 A D S >< S- 0 0 77 -4,-1.5 3,-1.0 -3,-0.4 -4,-0.0 -0.533 83.5-130.1 -68.3 127.0 37.5 -43.4 65.3 112 175 A K T 3 S+ 0 0 196 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.497 96.9 80.6 -58.7 -6.2 36.5 -47.0 65.8 113 176 A K T 3 S+ 0 0 186 -5,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.213 71.6 122.3 -86.0 17.1 40.1 -48.0 67.1 114 177 A C < - 0 0 35 -3,-1.0 2,-0.4 -5,-0.2 -5,-0.1 -0.484 65.8-124.7 -82.6 148.3 39.0 -46.7 70.5 115 178 A S > - 0 0 55 -2,-0.2 4,-1.1 1,-0.1 5,-0.4 -0.786 19.9-127.8 -89.6 131.5 39.1 -48.7 73.7 116 179 A V T 4 S+ 0 0 139 -2,-0.4 4,-0.4 1,-0.2 -1,-0.1 0.702 116.2 58.6 -52.2 -9.3 35.7 -48.6 75.4 117 180 A E T >> S+ 0 0 148 2,-0.1 3,-0.7 3,-0.1 4,-0.5 0.959 105.5 37.1 -81.0 -68.2 38.2 -47.6 78.0 118 181 A K H >> S+ 0 0 78 1,-0.2 3,-3.8 2,-0.2 4,-1.2 0.977 109.7 61.7 -50.4 -68.4 39.9 -44.5 76.5 119 182 A K H 3X S+ 0 0 99 -4,-1.1 4,-0.9 1,-0.3 -1,-0.2 0.694 97.3 60.6 -28.8 -40.9 36.8 -43.0 74.9 120 183 A S H <4 S+ 0 0 77 -3,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.710 110.0 38.5 -69.8 -21.4 35.1 -42.7 78.4 121 184 A E H < S+ 0 0 31 -4,-1.8 2,-2.4 1,-0.3 3,-2.1 0.948 107.6 58.3 -72.5 -49.5 36.1 -32.4 77.1 127 190 A A T 3< S+ 0 0 56 -4,-2.9 -1,-0.3 1,-0.3 140,-0.1 -0.482 116.2 34.5 -80.1 69.7 33.5 -32.1 79.9 128 191 A Q T 3> S+ 0 0 58 -2,-2.4 4,-1.4 -3,-0.3 -1,-0.3 0.228 85.6 112.2 159.1 12.0 35.9 -30.0 82.0 129 192 A L T <4 S+ 0 0 7 -3,-2.1 -2,-0.1 2,-0.2 -3,-0.1 0.873 70.3 55.3 -74.8 -43.2 37.7 -28.1 79.2 130 193 A D T 4 S+ 0 0 88 -4,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.765 108.9 55.4 -62.2 -22.7 36.6 -24.5 79.8 131 194 A N T 4 S+ 0 0 18 188,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.951 77.4 104.1 -73.2 -53.4 37.9 -25.1 83.3 132 195 A Y < - 0 0 43 -4,-1.4 -34,-0.1 -7,-0.2 -4,-0.0 -0.032 64.2-150.1 -37.3 109.0 41.4 -26.1 82.4 133 196 A G > - 0 0 29 1,-0.0 4,-1.9 4,-0.0 5,-0.3 -0.166 39.1 -67.0 -78.5 177.1 43.6 -23.0 83.2 134 197 A Q H > S+ 0 0 81 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.765 129.5 42.5 -32.9 -50.5 46.8 -21.9 81.5 135 198 A Q H >> S+ 0 0 113 2,-0.2 3,-3.5 1,-0.2 4,-2.3 0.997 112.4 44.8 -66.3 -76.7 48.8 -24.9 82.8 136 199 A E H 3> S+ 0 0 99 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.738 115.7 53.3 -38.6 -29.4 46.7 -28.0 82.4 137 200 A L H 3< S+ 0 0 10 -4,-1.9 4,-0.4 2,-0.2 -1,-0.3 0.767 108.9 47.8 -79.7 -27.9 45.8 -26.6 79.0 138 201 A A H << S+ 0 0 20 -3,-3.5 3,-0.4 -4,-0.9 -2,-0.2 0.925 115.4 46.6 -74.7 -47.7 49.5 -26.3 78.2 139 202 A D H >X S+ 0 0 79 -4,-2.3 3,-5.2 1,-0.2 4,-1.1 0.984 105.6 54.4 -55.9 -69.4 50.1 -29.9 79.4 140 203 A L H 3X S+ 0 0 24 -4,-2.2 4,-0.5 1,-0.3 5,-0.3 0.721 98.8 68.4 -41.1 -23.8 47.2 -31.6 77.7 141 204 A F H 34>S+ 0 0 21 -3,-0.4 5,-1.3 -4,-0.4 -1,-0.3 0.579 103.9 42.9 -74.6 -9.0 48.7 -30.1 74.6 142 205 A V H <45S+ 0 0 101 -3,-5.2 3,-0.3 3,-0.2 -2,-0.2 0.851 113.9 50.1 -95.4 -58.9 51.7 -32.4 75.1 143 206 A N H <5S+ 0 0 106 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.915 119.5 29.1 -40.5 -99.0 49.8 -35.6 76.0 144 207 A Y T <5S- 0 0 40 -4,-0.5 -1,-0.3 1,-0.1 -3,-0.1 0.552 110.3-132.7 -46.7 -7.5 47.1 -36.0 73.3 145 208 A N T 5 - 0 0 80 -5,-0.3 2,-0.3 -3,-0.3 -3,-0.2 0.933 18.3-143.8 48.6 95.2 49.7 -34.2 71.2 146 209 A V < + 0 0 7 -5,-1.3 9,-0.4 9,-0.1 2,-0.3 -0.677 22.2 176.2 -89.7 140.6 47.9 -31.5 69.2 147 210 A K - 0 0 71 -2,-0.3 5,-0.2 7,-0.1 7,-0.2 -0.920 45.6 -74.6-151.6 120.6 49.0 -30.7 65.7 148 211 A S - 0 0 3 -2,-0.3 4,-0.3 5,-0.2 -53,-0.0 0.419 36.1-134.9 -7.8 123.7 47.5 -28.2 63.2 149 212 A P S S+ 0 0 74 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.708 95.7 58.6 -65.4 -20.6 44.2 -29.4 61.8 150 213 A I S > S- 0 0 69 1,-0.2 3,-0.5 3,-0.0 -2,-0.0 -0.960 132.5 -15.8-112.4 124.2 45.4 -28.4 58.3 151 214 A T T 3 S- 0 0 102 -2,-0.5 -1,-0.2 1,-0.2 -3,-0.1 0.902 95.2-112.4 45.5 53.7 48.7 -30.0 57.2 152 215 A G T 3 + 0 0 37 -4,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.265 57.4 159.1 -16.5 78.6 49.5 -31.1 60.7 153 216 A N < - 0 0 31 -3,-0.5 2,-0.7 1,-0.0 -5,-0.2 -0.132 51.1 -73.7 -93.2-164.1 52.5 -29.0 61.6 154 217 A D - 0 0 98 -7,-0.2 -65,-2.4 -2,-0.1 -7,-0.1 -0.826 42.3-141.5-109.4 108.3 53.6 -28.3 65.1 155 218 A L B -K 88 0E 21 -2,-0.7 -67,-0.3 -9,-0.4 -9,-0.1 -0.307 16.5-127.5 -62.3 133.8 51.6 -25.9 67.2 156 219 A S - 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0 0 154 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.2 0.687 68.7 -69.0 55.3 21.4 14.1 7.5 93.4 200 263 A G T 3 S- 0 0 18 4,-0.3 3,-1.1 1,-0.3 2,-0.4 0.349 83.5-138.3 -96.9 6.3 31.2 -21.2 63.0 222 285 A G T 3 S- 0 0 6 3,-0.3 3,-0.5 1,-0.2 -1,-0.3 -0.603 79.1 -1.0 78.5-127.5 29.2 -18.8 60.7 223 286 A L T 3 S+ 0 0 6 -2,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.600 129.6 66.2 -74.8 -9.4 26.6 -16.7 62.5 224 287 A I S < S+ 0 0 6 -3,-1.1 2,-0.5 1,-0.3 -1,-0.2 0.813 106.2 35.4 -81.0 -33.7 27.5 -18.4 65.8 225 288 A R S S+ 0 0 43 -3,-0.5 -4,-0.3 -7,-0.0 2,-0.3 -0.802 82.0 160.5-121.5 86.1 31.0 -17.1 66.2 226 289 A V - 0 0 16 -2,-0.5 -196,-0.2 -3,-0.3 3,-0.1 -0.751 44.6-136.3-112.3 160.6 31.1 -13.6 64.8 227 290 A R S S+ 0 0 50 -198,-3.0 -13,-0.9 -2,-0.3 2,-0.3 0.359 94.6 26.0 -90.2 4.3 33.5 -10.6 65.3 228 291 A E E S+C 213 0B 88 -199,-0.6 2,-0.3 -15,-0.2 -197,-0.3 -0.859 73.5 162.5-166.9 126.4 30.7 -8.1 65.7 229 292 A F E -C 212 0B 33 -17,-2.2 -17,-1.4 -2,-0.3 2,-0.5 -0.997 37.6-115.0-153.6 157.0 27.2 -8.6 66.9 230 293 A T E +C 211 0B 31 -2,-0.3 156,-1.2 -19,-0.2 2,-0.3 -0.778 43.2 166.1 -90.9 128.0 24.1 -6.9 68.2 231 294 A M E -C 210 0B 12 -21,-2.9 -21,-2.3 -2,-0.5 2,-0.5 -0.978 29.3-138.8-142.9 156.1 23.2 -8.0 71.7 232 295 A A E -CD 209 383B 0 151,-1.9 151,-3.0 -2,-0.3 2,-0.4 -0.972 18.9-171.1-120.0 126.2 20.9 -6.8 74.4 233 296 A E E -CD 208 382B 1 -25,-2.1 -25,-1.3 -2,-0.5 2,-0.4 -0.964 7.5-158.0-122.0 132.3 22.0 -6.7 78.1 234 297 A I E -C 207 0B 6 147,-1.2 2,-0.5 -2,-0.4 -27,-0.3 -0.852 3.2-158.3-105.3 141.0 19.8 -6.0 81.1 235 298 A E E -C 206 0B 0 -29,-2.0 -29,-1.3 -2,-0.4 2,-0.6 -0.731 10.3-169.9-120.6 80.8 21.4 -4.9 84.4 236 299 A H E -CE 205 379B 14 143,-1.2 143,-1.9 -2,-0.5 2,-0.8 -0.613 6.6-159.6 -74.1 116.3 18.9 -5.7 87.2 237 300 A F E +CE 204 378B 1 -33,-1.8 -33,-0.8 -2,-0.6 2,-0.3 -0.830 20.7 166.6-102.3 98.0 20.2 -4.0 90.3 238 301 A V E - 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