==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JAN-10 3LGD . COMPND 2 MOLECULE: ADENOSINE DEAMINASE CECR1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.V.ZAVIALOV . 964 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.3 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 35 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 392 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 7 0 8 2 4 4 0 2 0 2 0 2 0 4 2 2 0 0 0 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 2 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 . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 2 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 3 A S > 0 0 111 0, 0.0 4,-1.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -35.3 24.4 -19.3 15.6 2 4 A I H > + 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.849 360.0 55.1 -74.9 -38.0 22.6 -15.9 15.4 3 5 A D H > S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.819 109.0 47.6 -56.0 -35.0 24.5 -15.7 12.1 4 6 A E H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.1 -2,-0.2 0.854 107.5 54.7 -76.0 -38.0 22.7 -19.1 11.4 5 7 A T H X S+ 0 0 47 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.931 109.3 48.4 -58.3 -47.1 19.3 -17.7 12.5 6 8 A R H X S+ 0 0 57 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.868 111.3 50.1 -60.6 -40.2 19.7 -14.8 10.1 7 9 A A H X S+ 0 0 59 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.901 110.6 50.8 -65.7 -38.1 20.6 -17.2 7.3 8 10 A H H X S+ 0 0 105 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.906 108.1 49.9 -68.8 -45.3 17.6 -19.4 8.0 9 11 A L H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.938 112.4 48.7 -60.3 -46.2 15.1 -16.5 8.0 10 12 A L H X S+ 0 0 47 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.852 113.3 47.1 -60.4 -36.9 16.4 -15.3 4.6 11 13 A L H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.877 108.1 54.9 -75.0 -39.8 16.3 -18.9 3.2 12 14 A K H X S+ 0 0 70 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.921 111.0 45.9 -56.3 -43.1 12.8 -19.4 4.5 13 15 A E H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.872 109.7 54.3 -68.9 -36.6 11.7 -16.2 2.6 14 16 A K H < S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.2 44.8 -59.8 -41.9 13.5 -17.3 -0.5 15 17 A M H < S+ 0 0 65 -4,-2.2 6,-0.3 1,-0.2 -2,-0.2 0.786 114.1 47.7 -74.1 -33.1 11.6 -20.6 -0.5 16 18 A M H < S+ 0 0 71 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.772 87.6 94.7 -87.1 -26.0 8.1 -19.2 0.2 17 19 A R S >< S- 0 0 43 -4,-1.9 3,-2.7 387,-0.2 4,-0.3 -0.214 99.3 -65.0 -59.4 159.0 7.9 -16.4 -2.3 18 20 A L T 3 S+ 0 0 6 384,-2.2 -1,-0.2 1,-0.3 428,-0.1 -0.201 123.7 3.1 -54.5 124.9 6.2 -17.1 -5.6 19 21 A G T > S+ 0 0 9 -3,-0.2 3,-1.7 386,-0.1 -1,-0.3 0.414 90.5 131.4 82.8 0.2 8.2 -19.7 -7.6 20 22 A G T < + 0 0 11 -3,-2.7 -4,-0.2 1,-0.3 -2,-0.1 0.765 69.5 48.0 -61.7 -30.5 10.8 -20.1 -4.8 21 23 A R T 3 S+ 0 0 209 -6,-0.3 -1,-0.3 -4,-0.3 2,-0.1 0.452 84.2 119.6 -92.1 0.2 10.7 -23.9 -4.7 22 24 A L < - 0 0 43 -3,-1.7 2,-0.5 -7,-0.1 420,-0.1 -0.400 61.4-131.3 -67.0 137.3 11.1 -24.3 -8.5 23 25 A V - 0 0 130 -2,-0.1 2,-0.3 419,-0.0 -1,-0.1 -0.810 19.3-156.2 -92.6 124.6 14.2 -26.2 -9.7 24 26 A L - 0 0 15 -2,-0.5 2,-0.1 1,-0.0 418,-0.0 -0.766 10.4-132.5 -95.7 143.9 16.2 -24.5 -12.5 25 27 A N > - 0 0 73 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.367 37.2 -93.6 -84.5 176.6 18.5 -26.4 -14.9 26 28 A T H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 126.9 49.8 -66.6 -36.4 22.1 -25.2 -15.7 27 29 A K H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.858 112.1 48.6 -66.4 -37.7 21.0 -23.1 -18.7 28 30 A E H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.851 106.7 56.4 -67.5 -39.7 18.2 -21.5 -16.7 29 31 A E H X S+ 0 0 82 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 109.3 47.1 -58.2 -44.3 20.7 -20.7 -13.9 30 32 A L H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.914 111.5 49.4 -61.3 -45.4 22.8 -18.8 -16.5 31 33 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.925 111.8 50.4 -59.6 -44.8 19.7 -17.0 -17.9 32 34 A N H X S+ 0 0 21 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.887 107.3 52.9 -56.5 -44.3 18.8 -16.0 -14.3 33 35 A E H X S+ 0 0 125 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.911 113.7 43.2 -62.8 -43.2 22.2 -14.7 -13.5 34 36 A R H X S+ 0 0 116 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.886 115.3 46.8 -69.0 -44.4 22.2 -12.5 -16.6 35 37 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.943 114.4 48.4 -66.2 -44.0 18.6 -11.2 -16.2 36 38 A M H X S+ 0 0 24 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.857 106.5 56.7 -63.8 -35.8 19.2 -10.5 -12.4 37 39 A T H X S+ 0 0 92 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.947 112.7 41.6 -59.9 -47.2 22.5 -8.7 -13.3 38 40 A L H X S+ 0 0 64 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.882 115.4 50.3 -64.9 -41.9 20.5 -6.3 -15.6 39 41 A K H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.932 111.4 47.7 -63.3 -47.7 17.6 -6.0 -13.0 40 42 A I H X S+ 0 0 63 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.894 112.3 49.8 -61.4 -42.7 19.9 -5.2 -10.2 41 43 A A H X S+ 0 0 60 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.835 111.4 48.2 -62.6 -39.0 21.7 -2.5 -12.3 42 44 A E H X S+ 0 0 46 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.932 114.4 47.3 -67.2 -41.2 18.5 -0.9 -13.3 43 45 A M H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 109.1 52.7 -66.9 -40.6 17.4 -0.9 -9.7 44 46 A K H X S+ 0 0 129 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.933 110.7 47.6 -60.2 -44.8 20.6 0.5 -8.4 45 47 A E H X S+ 0 0 94 -4,-1.8 4,-2.1 1,-0.2 6,-0.3 0.864 111.3 51.1 -63.1 -37.7 20.4 3.4 -10.8 46 48 A A H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.888 107.8 52.6 -67.4 -38.7 16.7 4.0 -9.8 47 49 A M H < S+ 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.838 109.8 50.3 -63.5 -34.2 17.7 4.0 -6.1 48 50 A R H < S+ 0 0 165 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.939 127.6 20.4 -65.4 -48.8 20.4 6.7 -7.0 49 51 A T H < S- 0 0 41 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.601 92.0-128.7-100.1 -16.4 18.0 9.0 -8.9 50 52 A L < + 0 0 31 -4,-2.8 2,-1.1 1,-0.2 -3,-0.1 0.617 66.3 134.3 63.7 16.6 14.5 8.0 -7.7 51 53 A I + 0 0 87 -6,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.808 25.7 156.0 -89.2 95.4 13.5 7.7 -11.4 52 54 A F >> - 0 0 3 -2,-1.1 3,-2.0 1,-0.2 4,-0.6 -0.934 37.8-148.7-130.4 105.5 11.8 4.3 -10.9 53 55 A P G >4 S+ 0 0 14 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.825 94.2 52.5 -52.4 -44.8 9.1 3.5 -13.5 54 56 A P G 34 S+ 0 0 0 0, 0.0 339,-2.1 0, 0.0 4,-0.1 0.760 108.5 53.8 -60.9 -22.3 6.7 1.4 -11.3 55 57 A S G <4 S+ 0 0 30 -3,-2.0 2,-0.2 337,-0.2 3,-0.0 0.493 103.4 70.1 -86.9 -7.4 6.7 4.3 -8.7 56 58 A M S << S- 0 0 49 -3,-1.8 337,-0.2 -4,-0.6 2,-0.1 -0.713 102.6 -85.6-102.6 161.1 5.7 6.8 -11.4 57 59 A H >> - 0 0 45 -2,-0.2 4,-2.0 1,-0.1 3,-1.5 -0.467 40.3-122.5 -64.5 132.7 2.3 7.0 -13.2 58 60 A F H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.795 108.8 62.5 -49.2 -36.2 2.3 4.6 -16.2 59 61 A F H 34 S+ 0 0 21 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.856 116.0 31.9 -59.5 -36.0 1.5 7.5 -18.7 60 62 A Q H <4 S+ 0 0 68 -3,-1.5 4,-0.3 2,-0.1 -1,-0.2 0.675 120.5 52.4 -93.2 -21.5 4.8 9.1 -17.8 61 63 A A H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.1 3,-0.8 0.717 87.7 82.9 -84.7 -23.6 6.7 5.9 -17.0 62 64 A K H 3X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.3 5,-0.2 0.868 87.3 51.0 -51.8 -51.8 6.0 4.1 -20.3 63 65 A H H 34 S+ 0 0 100 -4,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.827 113.4 47.6 -60.1 -30.5 8.7 5.7 -22.5 64 66 A L H X4 S+ 0 0 37 -3,-0.8 3,-0.7 -4,-0.3 -1,-0.2 0.846 108.2 53.8 -76.1 -37.1 11.3 4.7 -19.8 65 67 A I H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 6,-0.3 0.883 103.5 58.2 -63.8 -36.7 9.9 1.1 -19.5 66 68 A E T 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.701 104.5 50.8 -68.3 -19.9 10.4 0.8 -23.3 67 69 A R T < S+ 0 0 182 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.357 87.7 112.4 -94.6 0.9 14.1 1.6 -22.9 68 70 A S <> - 0 0 12 -3,-1.7 4,-1.8 -4,-0.2 5,-0.1 -0.599 60.7-150.1 -82.5 135.1 14.6 -1.0 -20.1 69 71 A Q H > S+ 0 0 108 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.786 103.3 54.3 -70.6 -31.1 16.7 -4.1 -20.9 70 72 A V H > S+ 0 0 0 2,-0.2 4,-2.5 -32,-0.2 -1,-0.2 0.916 106.6 50.7 -65.1 -45.9 14.5 -6.0 -18.4 71 73 A F H > S+ 0 0 12 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.903 107.6 54.4 -55.7 -41.8 11.4 -4.9 -20.4 72 74 A N H X S+ 0 0 87 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.916 110.3 45.5 -60.1 -44.3 13.1 -6.2 -23.6 73 75 A I H X S+ 0 0 17 -4,-1.8 4,-1.3 1,-0.2 3,-0.3 0.907 111.6 52.0 -65.5 -41.7 13.7 -9.6 -22.1 74 76 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.874 104.7 56.9 -64.1 -37.4 10.1 -9.7 -20.7 75 77 A R H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.5 45.2 -53.7 -43.7 8.8 -8.9 -24.2 76 78 A M H < S+ 0 0 70 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.640 92.3 103.9 -75.4 -24.3 10.6 -12.0 -25.6 77 79 A M S < S- 0 0 0 -4,-1.3 2,-0.9 -3,-0.1 396,-0.1 -0.412 78.4-124.2 -62.8 132.0 9.4 -14.2 -22.7 78 80 A P - 0 0 1 0, 0.0 134,-0.2 0, 0.0 133,-0.1 -0.744 29.4-172.4 -74.5 110.6 6.6 -16.7 -23.5 79 81 A K - 0 0 0 132,-1.4 2,-0.8 -2,-0.9 372,-0.2 0.474 23.4-137.2 -87.6 -4.3 4.2 -15.5 -20.8 80 82 A G E +a 212 0A 1 131,-0.6 133,-2.3 371,-0.1 134,-0.6 -0.783 59.3 0.8 90.4-108.2 1.6 -18.3 -21.3 81 83 A A E -a 214 0A 2 -2,-0.8 2,-0.7 367,-0.4 134,-0.2 -0.872 49.9-137.8-124.8 146.4 -2.0 -17.0 -21.2 82 84 A A E +a 215 0A 0 132,-2.7 134,-2.3 -2,-0.3 329,-0.1 -0.912 30.0 170.6 -99.9 104.8 -3.9 -13.7 -20.8 83 85 A L E + 0 0 1 -2,-0.7 2,-0.5 327,-0.3 -1,-0.1 0.553 61.0 52.8 -96.9 -12.0 -6.8 -14.6 -18.5 84 86 A H E S+ 0 0 0 326,-0.1 329,-2.0 295,-0.1 328,-0.4 -0.866 70.9 129.0-130.5 96.4 -8.3 -11.1 -17.5 85 87 A L E -ab 217 413A 0 131,-0.6 133,-3.2 -2,-0.5 2,-0.3 -0.977 45.3-132.8-144.8 150.2 -9.2 -9.0 -20.6 86 88 A H E > -a 218 0A 20 327,-1.9 3,-1.4 -2,-0.3 133,-0.2 -0.862 27.4-112.3-108.8 147.9 -12.2 -7.0 -21.7 87 89 A D T 3 S+ 0 0 13 131,-2.3 3,-0.3 -2,-0.3 132,-0.1 0.698 107.8 31.2 -46.3 -40.7 -13.7 -7.2 -25.3 88 90 A I T 3 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.241 107.3 65.6-116.6 18.7 -13.0 -3.6 -26.5 89 91 A G S < S+ 0 0 0 -3,-1.4 327,-2.4 324,-0.2 328,-0.4 0.112 79.1 82.4-118.1 21.5 -9.8 -2.6 -24.7 90 92 A I S S+ 0 0 6 -3,-0.3 2,-0.4 325,-0.2 332,-0.2 0.215 73.3 73.5-118.8 11.3 -7.3 -5.1 -26.3 91 93 A V S S- 0 0 0 -3,-0.1 5,-0.1 115,-0.1 112,-0.1 -0.995 89.7-102.9-131.0 125.2 -6.3 -3.5 -29.6 92 94 A T >> - 0 0 45 -2,-0.4 3,-0.9 1,-0.1 4,-0.6 -0.139 28.8-133.9 -45.1 130.7 -4.0 -0.5 -29.9 93 95 A M H 3> S+ 0 0 4 323,-0.3 4,-1.8 1,-0.2 3,-0.4 0.722 94.8 78.0 -70.7 -22.1 -6.2 2.6 -30.6 94 96 A D H 3> S+ 0 0 88 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.877 93.8 51.0 -47.5 -48.6 -4.0 3.9 -33.4 95 97 A W H <>>S+ 0 0 22 -3,-0.9 5,-2.1 1,-0.2 4,-1.4 0.818 104.1 57.6 -63.9 -34.9 -5.5 1.2 -35.8 96 98 A L H <>S+ 0 0 0 -4,-0.6 5,-1.5 -3,-0.4 -1,-0.2 0.921 117.7 34.2 -60.4 -42.6 -9.0 2.3 -34.8 97 99 A V H <5S+ 0 0 6 -4,-1.8 4,-0.4 3,-0.2 -2,-0.2 0.973 124.1 37.8 -75.6 -58.3 -8.1 5.9 -36.0 98 100 A R H <5S+ 0 0 130 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.1 0.809 134.1 19.3 -72.0 -33.0 -5.8 5.4 -39.0 99 101 A N T ><5S+ 0 0 66 -4,-1.4 3,-1.1 -5,-0.4 4,-0.2 0.867 125.6 43.1-100.4 -60.1 -7.5 2.4 -40.5 100 102 A V G > - 0 0 12 4,-2.1 3,-0.8 -2,-0.4 20,-0.1 -0.049 34.4 -96.3 -60.5 165.3 -24.1 14.5 -28.5 112 114 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.902 132.6 50.1 -46.1 -44.4 -25.9 17.4 -26.8 113 115 A R T 3 S- 0 0 198 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.698 126.4-108.2 -68.4 -19.3 -23.4 17.0 -24.0 114 116 A G < + 0 0 45 -3,-0.8 2,-0.5 1,-0.3 -1,-0.0 0.627 64.4 153.4 101.0 19.0 -20.6 17.0 -26.6 115 117 A I - 0 0 30 1,-0.1 -4,-2.1 69,-0.0 -1,-0.3 -0.691 43.4-122.5 -87.5 125.2 -19.6 13.3 -26.5 116 118 A M E +F 110 0B 3 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.328 37.4 169.0 -61.5 139.9 -18.0 11.9 -29.7 117 119 A Q E -F 109 0B 17 -8,-2.2 -8,-2.3 69,-0.1 2,-0.3 -0.975 16.9-148.3-149.6 161.6 -19.7 8.9 -31.3 118 120 A F E -F 108 0B 4 67,-0.5 2,-0.3 -2,-0.3 -10,-0.2 -0.927 10.4-178.2-132.8 154.2 -19.5 7.0 -34.6 119 121 A R E -F 107 0B 99 -12,-1.8 -12,-2.0 -2,-0.3 2,-0.6 -0.941 21.5-143.0-154.2 130.3 -21.8 5.0 -37.0 120 122 A F E +F 106 0B 3 68,-0.5 2,-0.3 -2,-0.3 -14,-0.2 -0.844 47.5 145.2 -86.8 125.2 -21.2 3.1 -40.2 121 123 A A - 0 0 16 -16,-1.8 106,-0.1 -2,-0.6 107,-0.1 -0.994 43.7-124.2-161.8 152.4 -24.3 3.7 -42.3 122 124 A H S S+ 0 0 128 105,-0.6 2,-0.1 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-4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.261 119.5-113.4 -88.8 14.0 -7.8 4.0 -12.1 388 390 A K T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 2,-0.2 3,-0.1 0.651 75.7 131.2 73.5 23.3 -6.1 5.4 -8.9 389 391 A L S S- 0 0 17 1,-0.1 3,-2.4 480,-0.1 -1,-0.3 -0.932 72.4-148.0-109.4 117.7 3.3 3.8 -6.3 393 395 A L G > S+ 0 0 0 -339,-2.1 3,-1.5 -2,-0.6 -338,-0.2 0.633 94.1 74.2 -66.5 -14.4 3.2 0.2 -7.4 394 396 A R G 3 S+ 0 0 18 1,-0.2 -1,-0.3 -340,-0.1 -339,-0.1 0.784 97.8 52.5 -64.1 -22.4 5.9 -0.7 -4.8 395 397 A N G < S+ 0 0 14 -3,-2.4 -1,-0.2 4,-0.1 -2,-0.2 0.240 78.0 132.3 -91.2 8.1 2.8 -0.2 -2.3 396 398 A H X - 0 0 3 -3,-1.5 3,-2.0 1,-0.1 4,-0.3 -0.478 62.0-132.7 -64.2 133.1 0.6 -2.6 -4.3 397 399 A P T >> S+ 0 0 18 0, 0.0 3,-0.9 0, 0.0 4,-0.8 0.736 100.2 75.0 -62.8 -20.0 -1.1 -5.0 -1.7 398 400 A V H 3> S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.737 77.9 76.8 -64.7 -17.8 -0.2 -8.0 -4.0 399 401 A A H <> S+ 0 0 1 -3,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.935 94.3 49.3 -54.8 -45.6 3.5 -7.7 -2.8 400 402 A T H <> S+ 0 0 6 -3,-0.9 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12.5 -2.1 533 52 B L < + 0 0 33 -4,-2.9 2,-1.1 -5,-0.3 -3,-0.1 0.572 66.0 134.0 65.6 13.6 -14.7 10.8 -2.1 534 53 B I + 0 0 97 -6,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.804 25.1 155.0 -89.9 97.6 -13.6 13.5 0.4 535 54 B F >> - 0 0 1 -2,-1.1 3,-1.2 1,-0.1 4,-0.6 -0.964 38.7-147.5-133.9 106.9 -11.9 11.2 2.8 536 55 B P G >4 S+ 0 0 7 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.825 94.8 53.0 -53.8 -42.9 -9.2 12.7 5.0 537 56 B P G 34 S+ 0 0 0 0, 0.0 339,-2.0 0, 0.0 4,-0.1 0.830 108.9 53.3 -62.0 -26.2 -6.8 9.6 5.4 538 57 B S G <4 S+ 0 0 25 -3,-1.2 2,-0.2 337,-0.2 3,-0.0 0.580 104.7 67.5 -80.9 -9.0 -6.9 9.3 1.6 539 58 B M S << S- 0 0 51 -3,-1.5 337,-0.2 -4,-0.6 2,-0.2 -0.666 102.5 -83.8-106.2 162.4 -5.8 13.0 1.2 540 59 B H >> - 0 0 46 -2,-0.2 4,-2.1 1,-0.1 3,-1.1 -0.457 38.8-123.9 -66.0 134.9 -2.4 14.6 2.1 541 60 B F H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.822 109.2 63.0 -51.8 -35.3 -2.4 15.5 5.8 542 61 B F H 34 S+ 0 0 21 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.931 116.7 30.7 -56.9 -41.8 -1.6 19.2 5.0 543 62 B Q H <4 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108.5 48.4 -59.6 -54.2 6.9 36.4 11.7 635 154 B D H 3X S+ 0 0 74 -4,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.810 105.9 59.6 -57.3 -33.2 4.7 34.1 9.5 636 155 B S H 3X S+ 0 0 43 -4,-1.7 4,-1.2 2,-0.2 -1,-0.3 0.883 106.2 47.9 -60.9 -40.2 7.7 33.7 7.2 637 156 B L H < S+ 0 0 53 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.901 109.4 52.0 -61.7 -44.8 6.7 29.9 11.1 639 158 B R H >< S+ 0 0 140 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.786 108.6 52.6 -62.4 -27.9 6.4 28.7 7.4 640 159 B N H 3< S+ 0 0 79 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.591 101.6 60.2 -83.6 -8.2 10.2 28.0 7.6 641 160 B F T << S+ 0 0 0 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.401 107.5 40.6 -99.6 0.7 9.8 25.8 10.7 642 161 B T S < S- 0 0 18 -3,-0.6 259,-0.2 -4,-0.3 258,-0.1 -0.910 72.0-127.1-139.5 169.1 7.4 23.2 9.3 643 162 B L + 0 0 0 257,-2.9 258,-0.1 -2,-0.3 257,-0.1 0.545 66.5 128.7 -88.6 -10.9 6.9 21.2 6.1 644 163 B V + 0 0 65 256,-0.4 2,-0.3 -102,-0.0 -2,-0.1 -0.169 30.0 140.0 -55.3 131.4 3.3 22.3 5.9 645 164 B T - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.979 54.3-104.5-162.8 157.5 2.4 23.8 2.5 646 165 B Q S S+ 0 0 144 -2,-0.3 5,-0.2 1,-0.2 -104,-0.0 -0.599 106.5 20.9 -74.7 151.6 -0.3 24.0 -0.2 647 166 B H >> + 0 0 106 -2,-0.2 4,-2.6 1,-0.1 3,-1.0 0.882 66.9 169.9 52.7 51.1 0.7 21.8 -3.2 648 167 B P H 3> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.763 76.6 62.7 -62.9 -21.7 3.1 19.4 -1.5 649 168 B E H 34 S+ 0 0 105 2,-0.2 -2,-0.1 1,-0.2 -3,-0.0 0.850 111.3 38.5 -67.3 -33.4 3.1 17.3 -4.7 650 169 B V H <4 S+ 0 0 91 -3,-1.0 3,-0.2 1,-0.1 -1,-0.2 0.899 121.1 42.9 -77.9 -48.0 4.5 20.3 -6.5 651 170 B I H < S+ 0 0 82 -4,-2.6 2,-0.8 1,-0.2 -2,-0.2 0.919 120.7 39.1 -70.6 -45.1 6.9 21.5 -3.7 652 171 B Y < + 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.0 -0.837 66.5 170.7-111.8 97.2 8.2 18.1 -2.7 653 172 B T + 0 0 93 -2,-0.8 2,-0.3 -3,-0.2 -1,-0.2 0.729 64.4 7.1 -85.9 -23.5 8.7 16.2 -5.9 654 173 B N S > S- 0 0 48 1,-0.0 4,-1.9 0, 0.0 5,-0.2 -0.905 79.7 -97.3-144.7 178.5 10.6 13.2 -4.5 655 174 B Q H > S+ 0 0 14 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.803 119.0 55.1 -69.2 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