==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-AUG-11 3TKB . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.G.ASSEFA,L.NIIRANEN,N.P.WILLASSEN,A.O.SMALAS,E.MOE . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 2 0 1 1 0 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 82 A M > 0 0 86 0, 0.0 3,-0.7 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 92.9 -1.3 8.1 29.7 2 83 A E T 3 + 0 0 147 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.296 360.0 15.3 -72.7 155.3 2.0 10.0 30.2 3 84 A F T 3 S+ 0 0 91 1,-0.2 2,-0.5 41,-0.1 42,-0.3 0.737 89.7 127.7 56.9 31.4 4.8 10.4 27.6 4 85 A F < - 0 0 8 -3,-0.7 -1,-0.2 44,-0.1 5,-0.1 -0.970 66.2-112.4-122.1 114.0 2.5 9.2 24.8 5 86 A G > - 0 0 16 -2,-0.5 4,-2.6 40,-0.4 3,-0.4 -0.130 20.1-128.6 -52.5 138.5 2.4 11.6 21.7 6 87 A E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 104.6 53.2 -59.7 -40.0 -1.0 13.3 21.2 7 88 A S H > S+ 0 0 27 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.875 114.5 43.9 -66.0 -32.8 -1.5 12.4 17.6 8 89 A W H >> S+ 0 0 0 -3,-0.4 4,-2.0 40,-0.3 3,-0.8 0.921 110.9 54.4 -74.5 -41.6 -1.0 8.7 18.4 9 90 A K H 3X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.874 101.2 60.4 -57.6 -40.2 -3.2 9.0 21.6 10 91 A K H 3< S+ 0 0 154 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.858 116.2 31.1 -55.5 -38.3 -6.1 10.4 19.5 11 92 A H H << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.680 127.9 35.2 -99.2 -19.3 -6.2 7.2 17.4 12 93 A L H >< S+ 0 0 6 -4,-2.0 3,-2.3 1,-0.1 4,-0.3 0.485 81.8 96.9-115.3 -6.1 -5.1 4.5 19.8 13 94 A S G >< + 0 0 54 -4,-2.0 3,-1.2 1,-0.3 4,-0.5 0.688 69.5 78.5 -66.1 -15.6 -6.5 5.5 23.2 14 95 A G G 3 S+ 0 0 57 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.692 89.1 59.1 -57.8 -24.1 -9.5 3.1 22.5 15 96 A E G X S+ 0 0 23 -3,-2.3 3,-1.6 1,-0.2 6,-0.3 0.788 87.0 75.7 -70.7 -29.5 -7.1 0.3 23.5 16 97 A F T < S+ 0 0 42 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.749 96.9 43.8 -65.3 -29.1 -6.4 1.7 26.9 17 98 A G T 3 S+ 0 0 59 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.437 86.1 112.7 -92.7 -2.1 -9.7 0.6 28.5 18 99 A K S X> S- 0 0 83 -3,-1.6 4,-2.2 -4,-0.2 3,-0.8 -0.427 78.5-117.2 -73.6 147.5 -9.7 -2.9 27.1 19 100 A P H 3> S+ 0 0 109 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.898 113.3 53.3 -52.2 -41.3 -9.3 -5.7 29.6 20 101 A Y H 3> S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 110.5 47.0 -64.9 -32.5 -6.0 -6.9 28.0 21 102 A F H <> S+ 0 0 3 -3,-0.8 4,-2.8 -6,-0.3 5,-0.2 0.902 110.7 50.0 -78.5 -40.7 -4.5 -3.5 28.2 22 103 A I H X S+ 0 0 103 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 112.3 49.1 -58.8 -44.8 -5.5 -2.9 31.8 23 104 A K H X S+ 0 0 168 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.943 111.6 50.1 -60.4 -45.2 -4.1 -6.3 32.7 24 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.918 109.9 48.3 -57.1 -50.7 -0.9 -5.4 30.8 25 106 A M H X S+ 0 0 61 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.909 111.3 51.8 -61.2 -43.2 -0.4 -2.0 32.6 26 107 A G H X S+ 0 0 43 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.902 110.7 48.1 -58.0 -43.0 -1.0 -3.8 36.0 27 108 A F H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.935 112.4 47.3 -64.0 -49.0 1.6 -6.4 35.2 28 109 A V H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.908 112.2 50.7 -61.6 -38.6 4.2 -3.8 34.1 29 110 A A H X S+ 0 0 60 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.888 109.7 49.8 -67.3 -39.7 3.6 -1.7 37.2 30 111 A E H X S+ 0 0 103 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.915 111.2 50.6 -67.9 -39.5 4.0 -4.7 39.5 31 112 A E H >X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 3,-0.8 0.945 110.3 48.4 -58.7 -47.1 7.3 -5.5 37.7 32 113 A R H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 102.6 64.4 -64.7 -25.2 8.5 -1.9 38.1 33 114 A K H 3< S+ 0 0 152 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 121.2 18.8 -68.0 -30.1 7.6 -2.0 41.8 34 115 A H H << S+ 0 0 105 -4,-1.0 2,-0.3 -3,-0.8 -2,-0.2 0.578 127.4 30.6-118.7 -13.7 10.1 -4.7 42.5 35 116 A Y S < S- 0 0 110 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.1 -0.876 79.2 -98.0-142.5 165.3 12.5 -4.6 39.6 36 117 A T - 0 0 89 -2,-0.3 94,-2.9 94,-0.1 2,-0.4 -0.829 41.9-168.4 -86.7 127.7 14.2 -2.4 37.0 37 118 A V E -A 129 0A 3 -2,-0.5 92,-0.2 92,-0.2 30,-0.0 -0.954 21.7 -97.9-118.5 137.8 12.3 -2.7 33.7 38 119 A Y E S+A 128 0A 33 90,-2.9 90,-1.8 -2,-0.4 35,-0.1 -0.802 93.2 31.8-108.0 153.8 13.6 -1.3 30.4 39 120 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.729 96.3-108.5 -69.1 172.9 13.1 1.1 28.8 40 121 A P >> - 0 0 45 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.181 38.3 -98.5 -57.0 159.2 12.5 3.6 31.6 41 122 A P G >4 S+ 0 0 77 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.849 122.0 55.7 -53.5 -38.6 8.8 4.8 31.8 42 123 A H G 34 S+ 0 0 91 1,-0.2 3,-0.1 2,-0.1 31,-0.0 0.597 111.2 46.1 -74.9 -7.1 9.4 8.0 29.9 43 124 A Q G X4 S+ 0 0 23 -3,-2.3 3,-1.4 1,-0.1 -1,-0.2 0.357 78.7 96.3-115.3 0.8 10.8 6.0 26.9 44 125 A V T << S+ 0 0 10 -3,-1.0 3,-0.2 -4,-0.6 -2,-0.1 0.869 99.8 31.7 -57.2 -35.5 8.3 3.2 26.6 45 126 A F T > S+ 0 0 11 -4,-0.4 3,-2.7 -42,-0.3 4,-0.5 -0.067 73.6 130.8-117.2 35.1 6.5 5.2 23.8 46 127 A T G X> S+ 0 0 4 -3,-1.4 3,-2.0 1,-0.3 4,-1.1 0.871 70.3 67.2 -52.1 -37.5 9.4 7.1 22.3 47 128 A W G 34 S+ 0 0 5 27,-0.9 -1,-0.3 1,-0.3 4,-0.2 0.621 99.6 49.7 -60.2 -16.3 8.1 5.9 18.9 48 129 A T G <4 S+ 0 0 3 -3,-2.7 -40,-0.3 -45,-0.2 -1,-0.3 0.511 108.3 54.2 -94.1 -8.3 5.0 8.1 19.5 49 130 A Q T <4 S+ 0 0 94 -3,-2.0 -2,-0.2 -4,-0.5 -3,-0.1 0.655 94.2 65.0 -99.2 -21.3 7.1 11.2 20.4 50 131 A M S < S- 0 0 40 -4,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.734 112.7 -2.9 -84.5 -24.4 9.4 11.5 17.3 51 132 A C S S- 0 0 24 -4,-0.2 -1,-0.2 66,-0.1 2,-0.1 -0.976 81.7 -84.2-158.3 163.1 6.8 12.3 14.6 52 133 A D > - 0 0 69 -2,-0.3 3,-1.6 64,-0.2 4,-0.4 -0.420 39.7-120.0 -67.0 145.9 3.1 12.6 14.0 53 134 A I G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.873 115.1 52.9 -57.5 -35.7 1.2 9.4 13.4 54 135 A K G 3 S+ 0 0 134 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.606 101.3 61.1 -78.9 -6.8 0.1 10.7 10.0 55 136 A D G < S+ 0 0 101 -3,-1.6 -1,-0.2 64,-0.0 2,-0.2 0.419 73.7 119.9 -96.5 0.2 3.7 11.4 9.0 56 137 A V < + 0 0 4 -3,-1.1 63,-0.2 -4,-0.4 62,-0.1 -0.491 26.9 161.5 -64.6 130.2 4.8 7.8 9.4 57 138 A K + 0 0 49 61,-3.0 103,-2.0 1,-0.4 2,-0.4 0.590 60.6 33.8-118.8 -30.2 6.2 6.7 6.0 58 139 A V E -bc 119 160B 0 60,-2.1 62,-3.4 101,-0.2 2,-0.5 -0.981 63.4-158.8-136.7 139.7 8.2 3.5 6.8 59 140 A V E -bc 120 161B 0 101,-2.5 103,-3.1 -2,-0.4 2,-0.5 -0.980 5.5-173.4-128.3 122.6 7.7 0.9 9.4 60 141 A I E -bc 121 162B 2 60,-3.2 62,-1.7 -2,-0.5 2,-0.4 -0.963 17.2-151.2-113.8 118.1 10.4 -1.4 10.7 61 142 A L E +b 122 0B 3 101,-1.2 103,-0.5 -2,-0.5 62,-0.2 -0.754 17.7 176.6 -97.1 131.7 9.0 -4.1 13.1 62 143 A G E -b 123 0B 10 60,-2.6 62,-0.6 -2,-0.4 14,-0.0 -0.517 22.6-135.8-116.7-170.2 11.1 -5.6 15.8 63 144 A Q + 0 0 89 1,-0.4 62,-2.6 60,-0.2 61,-0.7 0.625 68.7 3.5-114.3 -91.3 10.5 -8.1 18.6 64 145 A D S S- 0 0 27 60,-0.2 -1,-0.4 59,-0.1 62,-0.1 -0.703 73.1-108.0-101.5 153.4 11.7 -7.5 22.2 65 146 A P - 0 0 5 0, 0.0 69,-0.3 0, 0.0 -1,-0.1 -0.394 48.5 -87.9 -71.4 154.7 13.5 -4.4 23.6 66 147 A Y - 0 0 50 1,-0.1 6,-0.4 67,-0.1 62,-0.1 -0.359 35.6-154.2 -54.9 143.5 17.2 -4.8 24.4 67 148 A H + 0 0 72 4,-0.1 64,-2.7 64,-0.1 65,-0.1 0.369 58.4 99.5-112.3 5.6 17.5 -6.0 28.0 68 149 A G S >> S- 0 0 10 62,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.585 88.3 -76.6 -91.0 154.6 21.0 -4.6 28.9 69 150 A P T 34 S- 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.197 111.6 -3.8 -51.3 134.9 21.5 -1.5 31.0 70 151 A N T 34 S+ 0 0 128 2,-0.1 10,-0.4 1,-0.1 13,-0.2 0.377 105.7 105.3 63.1 3.3 21.0 1.8 29.0 71 152 A Q T <4 + 0 0 48 -3,-1.9 9,-0.5 8,-0.1 2,-0.2 0.974 61.4 64.4 -78.1 -60.4 20.3 -0.0 25.7 72 153 A A < + 0 0 9 -4,-0.6 -2,-0.1 -6,-0.4 7,-0.1 -0.466 45.4 159.7 -69.8 134.7 16.5 0.2 25.1 73 154 A H - 0 0 1 2,-0.4 -1,-0.1 5,-0.4 3,-0.1 0.216 69.3 -82.3-138.3 20.5 15.1 3.6 24.6 74 155 A G S S+ 0 0 9 1,-0.2 -27,-0.9 4,-0.1 2,-0.4 0.462 102.0 93.5 98.9 1.8 11.7 2.9 22.9 75 156 A L S > S- 0 0 3 3,-0.2 3,-0.6 -29,-0.1 -2,-0.4 -0.995 79.7-111.9-124.8 129.1 12.9 2.5 19.2 76 157 A C T 3 S+ 0 0 0 45,-2.1 2,-0.8 -2,-0.4 35,-0.1 -0.318 95.9 2.8 -59.9 146.2 13.7 -0.8 17.8 77 158 A F T 3 S+ 0 0 21 1,-0.2 -1,-0.2 33,-0.0 12,-0.1 0.004 104.8 116.3 72.1 -27.2 17.4 -1.5 16.9 78 159 A S < - 0 0 0 -2,-0.8 -5,-0.4 -3,-0.6 2,-0.3 -0.396 42.2-171.9 -82.4 146.1 18.5 1.9 18.3 79 160 A V - 0 0 0 30,-2.4 30,-0.5 4,-0.1 -8,-0.1 -0.998 23.5-123.9-130.7 137.4 20.8 2.7 21.2 80 161 A Q > - 0 0 75 -9,-0.5 3,-2.2 -10,-0.4 -8,-0.0 -0.429 53.3 -53.2 -76.4 146.3 21.4 6.2 22.8 81 162 A R T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.1 27,-0.1 -0.283 120.0 21.6 -51.9 140.5 24.9 7.6 23.0 82 163 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.876 93.8 106.5-100.0 26.3 27.4 6.4 24.3 83 164 A V S < S- 0 0 23 -3,-2.2 26,-0.5 -13,-0.2 -4,-0.1 -0.380 74.6-114.4 -66.9 132.5 26.1 2.8 24.1 84 165 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.399 35.4 -99.3 -64.4 141.2 27.9 0.8 21.3 85 166 A P - 0 0 20 0, 0.0 -7,-0.1 0, 0.0 5,-0.0 -0.371 41.8-121.6 -55.7 131.5 25.7 -0.4 18.4 86 167 A P >> - 0 0 14 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.234 33.3 -93.0 -71.2 168.5 24.7 -4.0 18.9 87 168 A P H 3> S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.851 124.2 52.3 -51.9 -42.7 25.7 -6.6 16.2 88 169 A S H 3> S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 110.7 48.8 -64.6 -37.2 22.4 -6.3 14.2 89 170 A L H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.882 106.2 55.1 -71.3 -38.1 22.8 -2.6 14.0 90 171 A E H X S+ 0 0 56 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.916 110.3 48.9 -56.6 -39.7 26.4 -2.7 12.9 91 172 A N H X S+ 0 0 16 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.889 106.8 53.6 -69.3 -37.3 25.1 -5.0 10.1 92 173 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 110.3 48.6 -55.5 -44.8 22.3 -2.5 9.2 93 174 A Y H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.880 108.0 54.7 -66.2 -35.5 25.0 0.2 8.9 94 175 A K H X S+ 0 0 117 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.934 109.1 47.0 -61.7 -44.2 27.1 -2.2 6.7 95 176 A E H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 3,-0.5 0.915 110.8 52.5 -65.9 -37.4 24.2 -2.6 4.3 96 177 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 7,-0.4 0.897 101.3 62.1 -61.7 -38.3 23.6 1.1 4.3 97 178 A S H <>S+ 0 0 60 -4,-2.3 5,-0.6 1,-0.2 -1,-0.2 0.828 115.7 30.0 -59.4 -33.6 27.3 1.6 3.4 98 179 A T H <5S+ 0 0 88 -4,-1.2 3,-0.3 -3,-0.5 -1,-0.2 0.799 123.5 47.1 -92.0 -31.9 26.8 -0.2 0.1 99 180 A D H <5S+ 0 0 11 -4,-2.8 2,-1.0 1,-0.3 -3,-0.2 0.940 117.6 38.8 -76.0 -48.1 23.1 0.6 -0.6 100 181 A I T ><5S- 0 0 23 -4,-2.4 3,-2.7 -5,-0.3 -1,-0.3 -0.783 95.9-142.0-103.9 85.5 23.3 4.3 0.1 101 182 A E T 3 5S+ 0 0 170 -2,-1.0 -3,-0.1 -3,-0.3 3,-0.1 -0.248 83.5 28.1 -59.0 125.8 26.6 5.0 -1.5 102 183 A G T 3 > + 0 0 1 -2,-0.7 4,-1.8 1,-0.2 3,-1.5 0.215 49.5 113.4 -95.4 13.6 18.2 6.1 15.2 112 193 A S H 3> + 0 0 15 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.842 69.4 64.2 -50.4 -36.9 16.2 9.1 16.4 113 194 A G H 34 S+ 0 0 13 -3,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.801 105.8 44.6 -63.2 -28.4 17.1 11.0 13.2 114 195 A W H X4>S+ 0 0 2 -3,-1.5 5,-2.0 2,-0.2 3,-0.7 0.872 109.8 54.7 -75.8 -43.7 15.2 8.4 11.2 115 196 A A H ><5S+ 0 0 3 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.900 103.5 56.0 -55.9 -41.8 12.2 8.4 13.6 116 197 A K T 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 104.9 54.5 -62.2 -26.0 11.9 12.2 13.2 117 198 A Q T < 5S- 0 0 52 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.383 131.5 -89.1 -89.5 1.6 11.5 11.6 9.4 118 199 A G T < 5S+ 0 0 0 -3,-1.8 -61,-3.0 1,-0.3 -60,-2.1 0.683 79.7 140.3 99.3 19.0 8.7 9.2 9.8 119 200 A V E < -b 58 0B 0 -5,-2.0 2,-0.6 -62,-0.2 -1,-0.3 -0.870 43.4-148.6 -90.8 107.7 10.5 5.8 10.1 120 201 A L E -b 59 0B 4 -62,-3.4 -60,-3.2 -2,-0.8 2,-0.9 -0.710 10.3-166.3 -80.4 119.2 8.5 4.0 12.8 121 202 A L E +b 60 0B 2 -2,-0.6 -45,-2.1 -62,-0.2 2,-0.7 -0.768 20.1 176.3-107.5 80.3 10.8 1.7 14.7 122 203 A L E -b 61 0B 1 -62,-1.7 -60,-2.6 -2,-0.9 2,-0.2 -0.813 21.2-159.6-104.1 111.1 8.3 -0.4 16.5 123 204 A N E -b 62 0B 18 -2,-0.7 -60,-0.2 -62,-0.2 -59,-0.1 -0.514 20.0-136.4 -72.5 151.9 9.2 -3.4 18.8 124 205 A A S S+ 0 0 0 -61,-0.7 2,-0.5 -62,-0.6 21,-0.4 0.834 96.8 43.8 -76.6 -33.6 6.3 -5.8 19.2 125 206 A V S S- 0 0 2 -62,-2.6 -1,-0.2 1,-0.1 12,-0.1 -0.963 73.7-165.0-112.9 125.5 6.9 -6.1 23.0 126 207 A L + 0 0 6 -2,-0.5 2,-0.3 10,-0.1 -1,-0.1 0.498 63.1 35.7-100.2 -8.9 7.6 -2.7 24.6 127 208 A T - 0 0 1 9,-0.1 9,-0.3 -62,-0.1 2,-0.3 -0.928 55.4-175.3-133.9 167.3 9.1 -3.5 28.0 128 209 A V E -A 38 0A 0 -90,-1.8 -90,-2.9 -2,-0.3 2,-0.3 -0.963 34.2-108.1-156.8 141.7 11.5 -6.2 29.5 129 210 A R E > -A 37 0A 64 3,-0.5 3,-2.3 -2,-0.3 6,-0.2 -0.640 59.7 -83.6 -72.9 141.4 12.7 -6.9 33.0 130 211 A A T 3 S- 0 0 17 -94,-2.9 -62,-0.2 -2,-0.3 -1,-0.1 -0.150 107.7 -4.4 -50.5 126.7 16.3 -5.9 33.3 131 212 A H T 3 S+ 0 0 122 -64,-2.7 2,-0.8 1,-0.1 -1,-0.3 0.352 105.5 109.1 78.8 -2.4 18.7 -8.6 32.0 132 213 A Q X - 0 0 103 -3,-2.3 3,-1.8 -65,-0.1 -3,-0.5 -0.803 65.9-140.2-115.7 91.1 15.9 -11.1 31.4 133 214 A A T 3 S- 0 0 51 -2,-0.8 -67,-0.1 1,-0.3 -5,-0.0 -0.145 80.7 -2.0 -51.1 133.9 15.5 -11.6 27.6 134 215 A N T > S+ 0 0 62 -69,-0.3 3,-1.8 1,-0.1 -1,-0.3 0.633 86.6 142.3 62.5 14.9 11.8 -11.8 26.4 135 216 A S T < + 0 0 36 -3,-1.8 -7,-0.1 1,-0.3 -1,-0.1 0.743 69.5 44.1 -63.9 -24.6 10.6 -11.6 30.0 136 217 A H T > S+ 0 0 0 -9,-0.3 3,-0.7 -4,-0.2 5,-0.4 0.201 84.3 129.7-106.7 17.1 7.5 -9.5 29.2 137 218 A K T < + 0 0 103 -3,-1.8 -12,-0.0 1,-0.2 -73,-0.0 -0.323 69.2 16.9 -64.9 151.3 6.4 -11.5 26.1 138 219 A E T 3 S+ 0 0 150 1,-0.1 -1,-0.2 -2,-0.0 -13,-0.0 0.835 90.0 111.4 57.6 38.9 2.8 -12.6 25.8 139 220 A R S < S- 0 0 129 -3,-0.7 -112,-0.2 -115,-0.0 -1,-0.1 0.320 101.7 -73.8-117.0 -0.6 1.5 -10.2 28.5 140 221 A G S > S+ 0 0 13 -4,-0.1 4,-1.7 -117,-0.1 3,-0.2 0.148 106.4 102.5 129.4 -21.2 -0.5 -7.9 26.2 141 222 A W H > S+ 0 0 3 -5,-0.4 4,-3.1 1,-0.2 5,-0.3 0.885 78.7 58.8 -61.4 -40.3 2.0 -5.8 24.3 142 223 A E H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 105.7 48.8 -57.5 -40.5 1.7 -7.9 21.1 143 224 A Q H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 112.3 49.4 -65.9 -39.7 -2.0 -7.1 20.9 144 225 A F H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.940 112.4 44.9 -64.3 -45.8 -1.4 -3.4 21.4 145 226 A T H X S+ 0 0 0 -4,-3.1 4,-2.5 -21,-0.4 -1,-0.2 0.851 108.1 59.2 -72.9 -28.5 1.4 -3.2 18.8 146 227 A D H X S+ 0 0 79 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.901 103.7 53.2 -56.5 -40.1 -0.9 -5.2 16.5 147 228 A A H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.870 107.7 50.1 -63.4 -37.8 -3.4 -2.4 16.9 148 229 A V H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.956 112.4 45.6 -64.9 -48.5 -0.8 0.1 15.9 149 230 A V H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.911 113.6 50.7 -62.2 -41.0 0.1 -1.8 12.8 150 231 A S H X S+ 0 0 50 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.860 108.2 51.8 -68.2 -32.9 -3.6 -2.3 11.9 151 232 A W H X S+ 0 0 35 -4,-2.2 4,-2.2 -5,-0.2 5,-0.4 0.959 113.3 44.2 -66.2 -46.8 -4.4 1.4 12.3 152 233 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.930 112.1 53.4 -64.3 -44.5 -1.6 2.3 9.9 153 234 A N H < S+ 0 0 23 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.896 117.9 35.7 -54.0 -41.9 -2.6 -0.4 7.5 154 235 A Q H < S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.688 127.5 32.4 -90.3 -19.9 -6.2 0.8 7.4 155 236 A N H < S+ 0 0 82 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.712 105.8 64.3-111.2 -31.2 -5.7 4.6 7.6 156 237 A S < - 0 0 16 -4,-2.1 2,-0.4 -5,-0.4 -99,-0.1 -0.341 68.5-137.7 -90.3 177.7 -2.4 5.5 5.9 157 238 A N + 0 0 96 -2,-0.1 23,-0.2 1,-0.1 22,-0.1 -0.997 69.7 2.6-140.9 130.6 -1.4 5.1 2.2 158 239 A G S S+ 0 0 2 21,-2.3 22,-0.2 -2,-0.4 55,-0.2 0.709 76.2 163.6 72.7 23.2 1.7 3.9 0.4 159 240 A L - 0 0 1 -7,-0.1 22,-3.1 20,-0.1 2,-0.5 -0.307 34.1-133.4 -65.5 155.8 3.8 3.0 3.5 160 241 A V E -cd 58 181B 0 -103,-2.0 -101,-2.5 20,-0.2 2,-0.5 -0.975 17.1-160.8-112.2 120.3 6.8 0.8 3.2 161 242 A F E -cd 59 182B 0 20,-3.1 22,-2.9 -2,-0.5 2,-0.6 -0.886 2.5-158.0 -97.4 131.0 7.0 -2.0 5.7 162 243 A L E -cd 60 183B 0 -103,-3.1 -101,-1.2 -2,-0.5 2,-0.7 -0.933 10.0-171.7-111.3 113.3 10.4 -3.6 6.2 163 244 A L E - d 0 184B 0 20,-2.9 22,-1.9 -2,-0.6 2,-0.6 -0.896 3.7-177.9-116.0 103.8 10.0 -7.1 7.7 164 245 A W E + d 0 185B 6 -2,-0.7 4,-0.4 -103,-0.5 22,-0.2 -0.902 54.8 0.6-110.0 111.4 13.4 -8.6 8.8 165 246 A G S > S- 0 0 13 20,-2.8 4,-2.2 -2,-0.6 5,-0.2 0.003 92.5 -75.5 92.9 161.5 13.2 -12.1 10.1 166 247 A S H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.846 124.6 56.5 -65.8 -35.4 10.3 -14.5 10.7 167 248 A Y H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 112.3 42.1 -61.9 -49.9 8.8 -12.8 13.8 168 249 A A H > S+ 0 0 3 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.890 112.7 54.9 -63.0 -39.9 8.5 -9.5 11.9 169 250 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 108.8 47.6 -61.5 -41.4 7.2 -11.2 8.8 170 251 A K H >< S+ 0 0 147 -4,-2.7 3,-1.7 1,-0.2 4,-0.2 0.934 109.3 53.6 -64.6 -41.6 4.4 -12.9 10.8 171 252 A K H 3< S+ 0 0 27 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.813 115.3 40.6 -62.0 -29.2 3.5 -9.6 12.5 172 253 A G T >< S+ 0 0 1 -4,-1.7 3,-1.6 -3,-0.2 -1,-0.3 0.199 81.2 112.3-100.7 15.2 3.1 -8.0 9.1 173 254 A S T < S+ 0 0 91 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.759 78.0 46.5 -69.0 -22.3 1.4 -11.0 7.4 174 255 A A T 3 S+ 0 0 86 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.178 77.1 132.3-107.7 18.6 -2.0 -9.2 6.9 175 256 A I < - 0 0 14 -3,-1.6 2,-0.9 1,-0.1 7,-0.1 -0.439 66.5-114.0 -62.3 139.7 -0.7 -5.9 5.6 176 257 A D >> - 0 0 74 1,-0.2 4,-2.5 -2,-0.1 3,-0.6 -0.707 29.1-169.0 -81.4 106.2 -2.7 -4.8 2.5 177 258 A R T 34 S+ 0 0 146 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.457 84.0 61.3 -82.0 -1.1 -0.1 -5.0 -0.3 178 259 A K T 34 S+ 0 0 201 3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.734 115.5 33.4 -84.6 -29.0 -2.3 -3.2 -2.7 179 260 A R T <4 S+ 0 0 90 -3,-0.6 -21,-2.3 -22,-0.1 2,-0.2 0.787 130.2 21.3 -93.4 -35.0 -2.3 -0.1 -0.4 180 261 A H S < S- 0 0 2 -4,-2.5 2,-0.4 -22,-0.2 -20,-0.2 -0.731 75.8-112.4-128.6 175.7 1.2 -0.4 1.0 181 262 A H E -d 160 0B 50 -22,-3.1 -20,-3.1 -2,-0.2 2,-0.4 -0.926 22.4-163.1-115.9 139.5 4.6 -2.0 0.1 182 263 A V E -d 161 0B 23 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.990 4.8-173.6-125.0 124.6 6.2 -4.8 2.0 183 264 A L E -d 162 0B 30 -22,-2.9 -20,-2.9 -2,-0.4 2,-0.4 -0.976 13.1-173.4-115.0 134.5 9.9 -5.7 1.7 184 265 A Q E +d 163 0B 81 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.985 16.2 134.7-135.0 136.2 11.0 -8.9 3.5 185 266 A T E -d 164 0B 26 -22,-1.9 -20,-2.8 -2,-0.4 11,-0.1 -0.895 53.7 -52.3-156.4-171.0 14.3 -10.6 4.1 186 267 A A - 0 0 19 -2,-0.3 10,-0.1 -22,-0.2 -1,-0.1 -0.225 64.0 -91.8 -63.4 158.3 16.5 -12.3 6.8 187 268 A H - 0 0 61 -23,-0.2 10,-0.3 1,-0.1 8,-0.2 -0.420 31.0-124.9 -69.3 145.1 17.2 -10.6 10.1 188 269 A P S S+ 0 0 0 0, 0.0 5,-0.1 0, 0.0 -97,-0.1 0.556 72.3 118.3 -72.0 -4.0 20.4 -8.5 10.3 189 270 A S S >> S- 0 0 40 1,-0.1 3,-2.2 3,-0.1 4,-2.0 -0.268 82.2-106.3 -58.1 150.1 21.8 -10.4 13.3 190 271 A P H 3> S+ 0 0 68 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.841 116.5 60.7 -50.7 -37.6 25.1 -12.2 12.4 191 272 A L H 34 S+ 0 0 159 1,-0.2 -2,-0.1 2,-0.1 -4,-0.0 0.686 123.2 19.1 -67.1 -13.4 23.5 -15.7 12.4 192 273 A S H X4>S+ 0 0 28 -3,-2.2 3,-2.0 -5,-0.2 5,-0.6 0.496 94.1 98.1-129.7 -7.7 21.2 -14.7 9.5 193 274 A V H ><>S+ 0 0 2 -4,-2.0 5,-2.3 1,-0.3 3,-0.5 0.802 86.8 49.8 -62.4 -32.2 22.7 -11.7 7.9 194 275 A Y T 3<5S+ 0 0 193 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.550 95.4 76.2 -79.2 -10.2 24.4 -13.7 5.0 195 276 A R T < 5S- 0 0 212 -3,-2.0 -1,-0.2 -8,-0.2 -9,-0.2 -0.089 131.4 -47.8 -94.8 34.0 21.1 -15.4 4.4 196 277 A G T < 5S+ 0 0 31 -3,-0.5 -2,-0.1 2,-0.2 -3,-0.1 -0.003 115.8 92.7 135.3 -28.4 19.5 -12.5 2.6 197 278 A F T > + 0 0 117 -4,-0.3 4,-2.3 1,-0.1 5,-0.2 0.842 33.5 153.3 54.9 37.3 19.0 -2.8 -0.7 202 283 A H H > + 0 0 10 -5,-0.2 4,-2.1 1,-0.2 5,-0.1 0.794 63.5 58.2 -68.6 -23.5 15.9 -2.1 1.3 203 284 A F H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.945 112.2 37.0 -75.0 -47.0 17.0 1.5 2.0 204 285 A S H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.918 118.4 51.7 -66.6 -43.9 17.3 2.6 -1.6 205 286 A K H X S+ 0 0 86 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.894 105.2 56.6 -61.3 -40.7 14.2 0.5 -2.6 206 287 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.939 107.9 47.1 -53.8 -47.5 12.2 2.1 0.2 207 288 A N H X S+ 0 0 27 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.887 110.2 52.1 -68.9 -36.1 12.8 5.6 -1.2 208 289 A E H X S+ 0 0 130 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.905 112.9 45.7 -62.5 -40.5 12.0 4.5 -4.7 209 290 A L H >< S+ 0 0 21 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.863 106.5 57.9 -71.5 -31.9 8.7 3.1 -3.5 210 291 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.3 3,-1.6 0.893 99.2 61.5 -65.2 -34.7 7.9 6.1 -1.4 211 292 A Q H ><5S+ 0 0 115 -4,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.810 89.1 70.5 -61.4 -27.9 8.1 8.2 -4.5 212 293 A K T <<5S+ 0 0 147 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.736 105.6 39.0 -63.6 -21.4 5.2 6.2 -6.1 213 294 A S T < 5S- 0 0 37 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.170 124.3-101.3-114.2 18.5 2.8 7.9 -3.6 214 295 A G T < 5S+ 0 0 57 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.584 73.1 145.8 78.6 13.8 4.5 11.3 -3.8 215 296 A K < - 0 0 41 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.658 51.7-117.9 -89.7 136.4 6.4 11.0 -0.5 216 297 A K - 0 0 168 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.379 41.8-100.1 -67.5 150.0 9.9 12.6 -0.2 217 298 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.259 32.9-102.5 -74.0 158.2 12.6 10.0 0.5 218 299 A I - 0 0 5 -15,-0.2 2,-1.3 1,-0.1 3,-0.1 -0.594 25.6-134.4 -72.7 133.8 14.1 9.2 3.9 219 300 A D > - 0 0 75 -2,-0.3 3,-2.0 1,-0.2 -102,-0.1 -0.755 23.3-172.9 -88.9 91.9 17.5 10.8 4.3 220 301 A W T 3 S+ 0 0 4 -2,-1.3 -1,-0.2 1,-0.3 -106,-0.1 0.765 78.8 61.4 -62.0 -25.2 19.2 7.7 5.8 221 302 A R T 3 S+ 0 0 135 1,-0.1 2,-1.8 -3,-0.1 -1,-0.3 0.619 76.4 99.5 -73.2 -15.2 22.4 9.7 6.5 222 303 A E < 0 0 112 -3,-2.0 -105,-0.1 -109,-0.1 -1,-0.1 -0.577 360.0 360.0 -82.0 85.5 20.5 12.1 8.9 223 304 A L 0 0 45 -2,-1.8 -112,-0.1 -110,-0.1 -114,-0.0 -0.953 360.0 360.0-132.9 360.0 21.5 10.4 12.2