==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 29-MAY-12 4FE3 . COMPND 2 MOLECULE: CYTOSOLIC 5'-NUCLEOTIDASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.BITTO,C.A.BINGMAN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.2 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 . 1 0.3 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 4 0 0 0 3 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 2 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 7 A A 0 0 119 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 149.1 26.0 -7.1 11.0 2 8 A V - 0 0 14 22,-0.2 2,-0.5 3,-0.0 26,-0.1 -0.819 360.0-177.2 -91.9 124.6 22.9 -4.9 10.7 3 9 A H > - 0 0 101 -2,-0.5 3,-1.8 1,-0.1 4,-0.2 -0.949 15.6-163.1-125.9 108.9 20.7 -5.9 7.8 4 10 A L G > S+ 0 0 9 -2,-0.5 3,-1.8 1,-0.3 6,-0.3 0.797 89.2 65.6 -58.6 -32.6 17.7 -3.7 7.4 5 11 A K G 3 S+ 0 0 181 1,-0.3 -1,-0.3 -3,-0.1 6,-0.0 0.642 97.7 55.7 -65.1 -16.3 16.0 -6.3 5.2 6 12 A M G < S+ 0 0 151 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.404 94.1 79.8 -91.9 -2.9 15.9 -8.6 8.2 7 13 A M X - 0 0 15 -3,-1.8 3,-1.7 -4,-0.2 4,-0.5 -0.908 63.3-161.4-113.6 107.7 14.0 -5.9 10.3 8 14 A P G >> S+ 0 0 102 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.799 87.9 64.9 -62.5 -28.8 10.2 -5.7 9.5 9 15 A E G 34 S+ 0 0 31 1,-0.3 3,-0.5 2,-0.2 273,-0.1 0.781 101.1 54.0 -60.1 -27.8 9.8 -2.2 11.0 10 16 A F G <4 S+ 0 0 10 -3,-1.7 -1,-0.3 -6,-0.3 7,-0.1 0.573 102.1 57.1 -86.6 -10.7 12.1 -1.0 8.2 11 17 A Q T <4 S+ 0 0 109 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.462 74.9 120.4 -97.2 -4.8 10.0 -2.5 5.5 12 18 A K S >< S- 0 0 83 -4,-0.5 3,-1.9 -3,-0.5 -3,-0.0 -0.282 76.4-118.3 -55.5 145.7 6.8 -0.6 6.5 13 19 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 261,-0.0 262,-0.1 0.751 111.4 63.2 -68.1 -17.1 5.6 1.5 3.5 14 20 A S T 3 S+ 0 0 11 260,-0.1 261,-3.1 262,-0.1 2,-0.7 0.588 84.4 94.2 -78.0 -7.2 6.1 4.7 5.5 15 21 A V E < +A 274 0A 16 -3,-1.9 2,-0.5 259,-0.2 259,-0.2 -0.748 51.4 177.6 -99.5 113.8 9.8 4.1 5.8 16 22 A R E +A 273 0A 109 257,-3.1 257,-2.9 -2,-0.7 2,-0.5 -0.960 2.4 176.8-119.6 125.2 12.0 5.8 3.2 17 23 A I - 0 0 33 -2,-0.5 255,-0.1 255,-0.2 254,-0.1 -0.967 15.9-169.0-133.6 111.8 15.8 5.4 3.2 18 24 A K S S+ 0 0 128 -2,-0.5 -1,-0.1 253,-0.4 254,-0.1 0.884 88.3 27.9 -66.4 -40.4 18.0 6.9 0.5 19 25 A N > + 0 0 79 252,-0.4 4,-2.1 1,-0.1 -1,-0.3 -0.756 65.4 172.2-127.3 82.3 21.2 5.2 1.6 20 26 A P H > S+ 0 0 59 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.871 78.2 54.8 -69.5 -30.1 20.4 1.9 3.3 21 27 A T H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.910 109.9 48.2 -67.9 -34.9 24.0 0.7 3.6 22 28 A R H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 109.7 51.9 -67.7 -42.2 25.0 3.9 5.3 23 29 A V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.930 109.2 51.8 -59.0 -41.9 22.1 3.6 7.7 24 30 A E H X S+ 0 0 42 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.923 109.8 48.2 -56.9 -44.5 23.3 0.0 8.4 25 31 A E H X S+ 0 0 118 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.905 112.4 49.2 -65.7 -42.8 26.8 1.3 9.2 26 32 A I H X S+ 0 0 12 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.955 112.6 45.5 -60.8 -50.7 25.4 4.0 11.5 27 33 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.911 109.9 55.9 -62.2 -39.8 23.2 1.6 13.4 28 34 A C H X S+ 0 0 40 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.935 108.5 48.9 -54.1 -45.4 26.1 -0.8 13.6 29 35 A G H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.894 109.9 50.2 -59.2 -46.4 28.1 2.1 15.3 30 36 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.918 111.6 48.8 -58.5 -43.5 25.3 2.9 17.7 31 37 A I H < S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.936 109.1 52.8 -67.7 -42.1 25.1 -0.8 18.7 32 38 A K H < S+ 0 0 179 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.889 112.9 44.1 -54.6 -40.4 28.8 -1.0 19.2 33 39 A G H X S- 0 0 16 -4,-1.8 4,-0.6 -5,-0.1 3,-0.4 0.779 92.1-178.5 -80.6 -30.7 28.8 2.0 21.5 34 40 A G H >X - 0 0 13 -4,-1.8 3,-1.1 1,-0.2 4,-0.6 -0.053 53.8 -31.2 61.5-157.7 25.8 0.9 23.5 35 41 A A H >4 S+ 0 0 32 255,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.857 131.2 64.5 -59.4 -39.2 24.3 2.8 26.4 36 42 A A H 34 S+ 0 0 82 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.762 111.2 34.7 -63.6 -24.1 27.5 4.4 27.5 37 43 A K H << S+ 0 0 78 -3,-1.1 189,-2.7 -4,-0.6 2,-0.3 0.472 97.7 102.9-106.3 -2.8 28.0 6.3 24.2 38 44 A L E << +b 226 0A 1 -3,-1.1 2,-0.3 -4,-0.6 189,-0.2 -0.591 33.8 163.3 -93.8 141.4 24.4 7.2 23.3 39 45 A Q E -b 227 0A 1 187,-1.9 189,-1.8 -2,-0.3 2,-0.4 -0.980 24.9-137.4-142.4 159.7 22.4 10.4 23.7 40 46 A I E -bc 228 154A 0 113,-2.8 115,-2.5 -2,-0.3 2,-0.5 -0.912 12.7-173.6-116.3 135.2 19.1 11.6 22.1 41 47 A I E +bc 229 155A 0 187,-2.5 189,-1.8 -2,-0.4 2,-0.4 -0.989 23.7 170.0-125.0 120.4 18.4 15.0 20.6 42 48 A T E -bc 230 156A 0 113,-2.8 115,-2.8 -2,-0.5 189,-0.2 -0.985 33.9-132.0-139.8 145.5 14.8 15.5 19.6 43 49 A D - 0 0 7 187,-2.5 115,-0.2 -2,-0.4 5,-0.1 -0.300 21.8-150.3 -71.5 168.8 12.2 18.0 18.5 44 50 A F >>> + 0 0 0 113,-0.3 4,-2.5 1,-0.2 3,-1.9 0.787 64.7 68.7-107.7 -71.3 8.8 17.9 20.2 45 51 A N T 345S- 0 0 22 1,-0.3 -1,-0.2 2,-0.2 187,-0.1 -0.309 121.6 -4.9 -64.2 127.9 5.8 19.0 18.2 46 52 A M T 345S+ 0 0 15 4,-0.2 -1,-0.3 13,-0.2 5,-0.2 0.449 132.0 67.1 69.4 1.2 4.8 16.6 15.4 47 53 A T T <45S+ 0 0 0 -3,-1.9 -2,-0.2 3,-0.1 -3,-0.1 0.715 119.5 11.9-108.4 -62.4 8.0 14.6 16.2 48 54 A L T <5S+ 0 0 1 -4,-2.5 89,-2.9 -5,-0.1 2,-0.2 0.730 132.7 57.5 -83.3 -25.8 7.3 13.2 19.7 49 55 A S B S-H 56 0C 108 3,-2.3 3,-1.4 -2,-0.3 -3,-0.0 -0.960 80.4 -5.6-150.3 125.7 -5.1 11.0 14.6 54 60 A N T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.897 130.1 -55.1 53.4 44.3 -8.2 9.5 12.8 55 61 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.677 114.8 114.1 65.0 18.7 -7.9 12.0 10.0 56 62 A K E < S-H 53 0C 157 -3,-1.4 -3,-2.3 0, 0.0 -1,-0.2 -0.988 71.0-115.0-119.3 135.9 -8.0 15.0 12.4 57 63 A R E -H 52 0C 110 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.366 30.9-138.0 -66.4 138.9 -5.1 17.4 12.9 58 64 A C - 0 0 10 -7,-2.4 76,-0.1 -8,-0.1 2,-0.1 -0.699 23.0 -98.5-101.1 156.1 -3.6 17.3 16.4 59 65 A P - 0 0 11 0, 0.0 76,-0.3 0, 0.0 -13,-0.2 -0.379 22.2-142.6 -76.8 144.5 -2.5 20.4 18.4 60 66 A T > - 0 0 21 -15,-0.1 4,-1.9 -2,-0.1 74,-0.1 -0.412 43.4 -92.9 -79.1 174.6 0.9 21.7 18.8 61 67 A C H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.878 130.9 49.8 -58.5 -39.0 1.9 23.1 22.2 62 68 A H H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.925 108.5 53.1 -63.3 -41.3 0.8 26.6 21.0 63 69 A N H > S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.801 97.3 65.7 -66.4 -31.6 -2.5 25.2 19.8 64 70 A I H < S+ 0 0 3 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.930 110.5 36.9 -55.6 -44.7 -3.1 23.7 23.2 65 71 A I H >< S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.5 -2,-0.2 0.925 113.5 57.6 -71.1 -43.1 -3.4 27.2 24.5 66 72 A D H 3< S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 113.2 40.4 -50.8 -45.6 -5.1 28.6 21.4 67 73 A N T 3< S+ 0 0 85 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.320 95.9 106.1 -86.7 0.9 -7.9 26.0 21.8 68 74 A C S X S- 0 0 14 -3,-1.7 3,-1.5 -4,-0.2 8,-0.1 -0.368 80.8-105.9 -91.9 171.2 -8.4 26.2 25.6 69 75 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.676 112.1 66.7 -61.9 -24.5 -11.1 27.7 27.8 70 76 A L T 3 S+ 0 0 46 -5,-0.1 2,-0.4 54,-0.1 -1,-0.3 0.386 90.4 74.6 -85.5 5.7 -8.9 30.6 28.9 71 77 A V S < S- 0 0 3 -3,-1.5 44,-0.0 -6,-0.1 48,-0.0 -0.976 84.8-123.0-120.0 129.1 -8.8 32.1 25.4 72 78 A T > - 0 0 75 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.269 23.0-113.6 -68.0 158.2 -11.9 33.9 24.1 73 79 A D H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.810 118.0 53.3 -61.0 -32.1 -13.6 32.8 20.8 74 80 A E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 111.5 44.9 -68.8 -47.8 -12.5 36.0 19.2 75 81 A C H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 110.8 53.4 -60.3 -44.8 -8.9 35.5 20.1 76 82 A R H X S+ 0 0 46 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.908 107.3 53.0 -59.8 -42.4 -9.0 31.8 19.1 77 83 A R H X S+ 0 0 145 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.917 109.6 47.4 -57.0 -48.0 -10.3 32.9 15.7 78 84 A K H X S+ 0 0 103 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.883 113.8 48.1 -56.8 -44.3 -7.4 35.4 15.3 79 85 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.872 110.0 51.5 -70.6 -36.4 -4.9 32.7 16.4 80 86 A L H X S+ 0 0 69 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.909 110.4 48.7 -65.3 -41.8 -6.4 30.1 14.0 81 87 A Q H X S+ 0 0 102 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.872 109.5 52.8 -64.9 -43.3 -6.1 32.5 11.1 82 88 A L H X S+ 0 0 20 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.928 109.7 49.4 -54.6 -47.1 -2.5 33.3 12.0 83 89 A K H X>S+ 0 0 34 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.949 110.0 50.2 -62.4 -45.3 -1.8 29.6 12.0 84 90 A E H X5S+ 0 0 140 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.917 116.8 42.1 -54.3 -44.0 -3.4 29.2 8.6 85 91 A Q H X5S+ 0 0 98 -4,-2.4 4,-0.8 2,-0.1 -2,-0.2 0.948 122.8 34.7 -68.8 -50.8 -1.4 32.0 7.2 86 92 A Y H X5S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -3,-0.2 0.826 111.6 56.9 -86.8 -31.0 2.0 31.3 8.7 87 93 A Y H X5S+ 0 0 36 -4,-2.8 4,-2.5 -5,-0.4 5,-0.2 0.896 102.2 60.6 -62.1 -36.8 2.0 27.4 8.7 88 94 A A H X< S+ 0 0 25 -4,-0.8 3,-0.6 2,-0.2 -2,-0.2 0.903 109.3 60.0 -70.7 -44.3 4.7 29.6 4.7 90 96 A E H 3< S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.6 31.6 -48.3 -46.9 6.4 27.2 7.2 91 97 A V H 3< S+ 0 0 21 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.494 84.3 133.9 -94.4 -2.0 5.8 24.2 5.0 92 98 A D << - 0 0 42 -4,-0.6 3,-0.2 -3,-0.6 8,-0.1 -0.234 45.1-154.6 -55.7 117.5 6.0 26.0 1.6 93 99 A P S S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.708 87.1 56.8 -69.5 -21.2 8.2 23.8 -0.7 94 100 A V S S+ 0 0 124 2,-0.1 2,-0.1 0, 0.0 -2,-0.1 0.886 90.7 82.4 -76.0 -40.0 9.3 26.7 -2.9 95 101 A L S S- 0 0 51 -3,-0.2 2,-0.1 -6,-0.1 3,-0.0 -0.328 75.3-126.0 -76.3 144.9 10.8 29.0 -0.2 96 102 A T > - 0 0 63 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.440 28.4-108.6 -78.1 161.6 14.3 28.7 1.2 97 103 A V H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.900 123.5 53.3 -54.2 -40.9 14.9 28.4 5.0 98 104 A E H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.854 108.3 47.7 -66.4 -34.5 16.3 32.0 4.7 99 105 A E H 4 S+ 0 0 96 -3,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.837 113.6 47.4 -75.5 -32.8 13.1 33.3 3.0 100 106 A K H >X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 3,-0.7 0.812 93.6 83.0 -72.4 -32.8 10.8 31.7 5.6 101 107 A F H 3X S+ 0 0 69 -4,-1.8 4,-2.2 1,-0.3 3,-0.4 0.865 90.0 44.6 -42.7 -58.5 12.9 32.9 8.5 102 108 A P H 3> S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.868 110.6 55.2 -63.7 -31.0 11.5 36.4 8.9 103 109 A Y H <> S+ 0 0 108 -3,-0.7 4,-2.5 -4,-0.5 -2,-0.2 0.856 107.1 51.1 -67.7 -33.9 7.9 35.2 8.5 104 110 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.4 5,-0.3 0.933 108.6 50.2 -66.4 -44.2 8.5 32.8 11.4 105 111 A V H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 112.6 48.4 -54.2 -44.8 9.8 35.6 13.6 106 112 A E H X S+ 0 0 82 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.934 108.9 52.6 -65.6 -45.4 6.7 37.6 12.7 107 113 A W H X S+ 0 0 30 -4,-2.5 4,-3.5 1,-0.2 5,-0.2 0.940 112.0 45.0 -52.7 -52.7 4.3 34.7 13.4 108 114 A Y H X S+ 0 0 19 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.884 111.5 53.1 -65.6 -36.2 5.7 34.2 16.8 109 115 A T H X S+ 0 0 91 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.962 115.5 40.0 -62.1 -46.3 5.7 37.9 17.6 110 116 A K H X S+ 0 0 91 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.948 118.0 48.1 -66.7 -48.8 2.0 38.1 16.6 111 117 A S H X S+ 0 0 5 -4,-3.5 4,-1.8 -5,-0.3 -2,-0.2 0.914 114.8 43.0 -59.0 -50.1 1.1 34.9 18.3 112 118 A H H X S+ 0 0 16 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.906 109.9 59.2 -66.8 -38.6 2.9 35.5 21.6 113 119 A G H X S+ 0 0 33 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.949 108.2 44.4 -45.2 -56.8 1.6 39.1 21.6 114 120 A L H X S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.824 110.9 53.4 -61.5 -39.0 -2.0 37.8 21.5 115 121 A L H <>S+ 0 0 0 -4,-1.8 5,-0.8 2,-0.2 4,-0.3 0.876 109.2 49.1 -66.0 -38.1 -1.4 35.2 24.2 116 122 A I H ><5S+ 0 0 57 -4,-2.3 3,-1.7 2,-0.2 -2,-0.2 0.930 107.8 54.5 -66.3 -44.3 0.0 37.9 26.5 117 123 A E H 3<5S+ 0 0 163 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.910 106.0 53.2 -51.1 -44.8 -3.0 40.0 25.8 118 124 A Q T 3<5S- 0 0 45 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.593 104.7-138.6 -71.3 -9.6 -5.2 37.1 26.9 119 125 A G T < 5 - 0 0 21 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.942 15.7-149.1 51.0 65.5 -3.2 36.9 30.2 120 126 A I < - 0 0 0 -5,-0.8 74,-2.1 73,-0.1 2,-0.4 -0.467 11.3-131.3 -67.5 122.0 -2.8 33.2 30.6 121 127 A P B > -I 193 0D 36 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.598 0.4-143.2 -80.8 129.9 -2.6 32.1 34.2 122 128 A K G > S+ 0 0 122 70,-2.3 3,-1.6 -2,-0.4 4,-0.4 0.849 99.2 62.0 -52.3 -37.5 0.1 29.8 35.3 123 129 A A G 3 S+ 0 0 81 69,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.654 99.5 55.6 -72.9 -13.2 -2.2 28.0 37.7 124 130 A K G <> S+ 0 0 82 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.517 79.1 91.7 -95.0 -6.8 -4.4 26.9 34.9 125 131 A L H <> S+ 0 0 12 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.885 83.0 54.3 -60.7 -40.1 -1.8 25.1 32.8 126 132 A K H > S+ 0 0 129 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.965 114.4 40.4 -56.2 -53.0 -2.4 21.7 34.4 127 133 A E H > S+ 0 0 107 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.906 112.5 55.9 -61.5 -44.4 -6.1 21.8 33.6 128 134 A I H < S+ 0 0 7 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.936 112.3 42.4 -54.8 -47.3 -5.6 23.3 30.2 129 135 A V H >< S+ 0 0 5 -4,-2.6 3,-1.3 -5,-0.2 5,-0.3 0.926 112.5 53.0 -66.6 -41.7 -3.3 20.4 29.2 130 136 A A H 3< S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.892 112.9 45.3 -65.0 -35.2 -5.5 17.8 30.8 131 137 A D T 3< S+ 0 0 109 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.502 97.7 98.9 -81.7 -6.6 -8.5 19.0 28.8 132 138 A S S < S- 0 0 29 -3,-1.3 -68,-0.1 -4,-0.4 -3,-0.1 -0.222 77.6-122.4 -84.1 177.4 -6.6 19.4 25.5 133 139 A D + 0 0 126 2,-0.1 -1,-0.1 -69,-0.0 -3,-0.1 0.188 58.6 143.1-100.8 16.0 -6.5 17.0 22.5 134 140 A V - 0 0 34 -5,-0.3 2,-0.4 -76,-0.1 -74,-0.1 -0.217 28.1-171.0 -58.1 143.3 -2.7 16.6 22.6 135 141 A M - 0 0 49 -76,-0.3 -85,-3.2 -85,-0.2 2,-0.2 -0.980 14.3-143.1-140.5 126.8 -1.5 13.1 21.7 136 142 A L B -G 49 0B 12 -2,-0.4 -87,-0.3 -87,-0.3 3,-0.1 -0.540 40.6 -86.8 -77.6 159.1 2.0 11.6 21.9 137 143 A K > - 0 0 0 -89,-2.9 3,-1.6 -2,-0.2 142,-0.2 -0.186 52.0 -88.1 -64.7 150.5 3.2 9.1 19.2 138 144 A E B 3 S+j 279 0E 110 140,-2.2 142,-2.7 1,-0.3 143,-0.1 -0.365 116.8 28.9 -55.7 132.1 2.4 5.4 19.5 139 145 A G T 3> S+ 0 0 17 140,-0.2 4,-2.0 -3,-0.1 -1,-0.3 0.524 76.2 131.4 91.7 10.6 5.2 3.8 21.5 140 146 A Y H <> + 0 0 56 -3,-1.6 4,-2.4 1,-0.2 5,-0.4 0.862 68.0 57.3 -65.2 -34.9 6.0 6.8 23.6 141 147 A E H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 111.4 42.0 -62.7 -42.8 6.0 4.9 26.9 142 148 A N H > S+ 0 0 119 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.818 112.6 54.7 -73.0 -33.4 8.6 2.4 25.7 143 149 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.990 118.1 32.9 -61.5 -60.9 10.7 5.2 24.1 144 150 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.873 119.5 54.9 -66.2 -31.1 11.0 7.2 27.3 145 151 A G H X S+ 0 0 30 -4,-2.4 4,-2.6 -5,-0.4 -1,-0.2 0.930 109.7 43.2 -70.1 -48.0 10.9 4.1 29.5 146 152 A K H X S+ 0 0 39 -4,-2.3 4,-1.5 2,-0.2 6,-0.2 0.920 114.1 52.7 -64.1 -42.7 13.9 2.3 27.8 147 153 A L H <>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.3 3,-0.3 0.945 112.8 42.9 -61.1 -43.9 15.9 5.6 27.7 148 154 A Q H ><5S+ 0 0 64 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.905 107.7 60.5 -69.5 -38.5 15.4 6.2 31.4 149 155 A Q H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.832 114.5 36.7 -54.5 -35.6 16.1 2.6 32.3 150 156 A H T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.309 111.4-118.7-102.8 8.6 19.5 3.0 30.8 151 157 A G T < 5 + 0 0 52 -3,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.788 49.9 170.7 57.4 35.6 20.1 6.6 31.9 152 158 A I < - 0 0 1 -5,-2.6 -1,-0.2 -6,-0.2 -113,-0.1 -0.598 36.4-118.6 -79.4 126.5 20.4 7.9 28.3 153 159 A P - 0 0 20 0, 0.0 -113,-2.8 0, 0.0 2,-0.4 -0.390 29.5-166.3 -64.9 132.6 20.4 11.7 28.1 154 160 A V E -cd 40 179A 0 24,-2.5 26,-2.9 -115,-0.2 2,-0.6 -0.997 5.0-166.8-122.3 123.8 17.5 13.0 26.2 155 161 A F E -cd 41 180A 0 -115,-2.5 -113,-2.8 -2,-0.4 2,-0.7 -0.947 4.4-162.3-113.2 107.9 17.5 16.7 25.1 156 162 A I E -cd 42 181A 0 24,-3.3 26,-3.0 -2,-0.6 2,-0.7 -0.860 7.9-172.9 -96.3 114.8 14.1 17.9 23.9 157 163 A F E + d 0 182A 0 -115,-2.8 2,-0.4 -2,-0.7 -113,-0.3 -0.917 13.9 172.3-115.7 99.4 14.7 21.1 21.8 158 164 A S E - 0 0 1 24,-2.7 26,-0.3 -2,-0.7 4,-0.1 -0.925 39.7-155.4-120.6 137.4 11.4 22.7 20.9 159 165 A A E S+ 0 0 8 -2,-0.4 45,-0.2 24,-0.2 24,-0.1 0.018 79.8 84.6 -89.7 24.9 10.3 25.9 19.3 160 166 A G E S- 0 0 1 43,-0.1 24,-0.7 1,-0.1 2,-0.5 0.265 100.3 -57.9 -93.9-134.3 6.9 25.6 21.1 161 167 A I E > - d 0 184A 0 1,-0.1 4,-2.4 22,-0.1 3,-0.3 -0.972 39.8-154.1-117.8 119.6 6.0 26.6 24.6 162 168 A G H > S+ 0 0 0 22,-2.3 4,-2.9 -2,-0.5 5,-0.2 0.877 92.0 54.1 -61.1 -42.6 8.2 25.0 27.4 163 169 A D H > S+ 0 0 24 21,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.875 112.6 44.4 -61.2 -37.6 5.6 25.2 30.2 164 170 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.920 112.8 50.4 -71.8 -47.4 3.1 23.4 28.0 165 171 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.948 110.9 49.8 -57.7 -50.3 5.5 20.7 26.8 166 172 A E H X S+ 0 0 41 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.903 110.7 49.3 -55.0 -44.6 6.7 20.0 30.3 167 173 A E H X S+ 0 0 17 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.896 109.2 53.4 -67.3 -35.8 3.0 19.6 31.5 168 174 A V H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.945 114.6 39.5 -57.9 -54.2 2.2 17.3 28.6 169 175 A I H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 6,-0.7 0.863 113.9 54.7 -71.1 -31.8 5.1 14.9 29.4 170 176 A R H ><5S+ 0 0 126 -4,-2.6 3,-1.4 -5,-0.3 -2,-0.2 0.961 111.0 45.8 -59.5 -53.4 4.5 15.3 33.2 171 177 A Q H 3<5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.835 109.4 54.2 -60.8 -33.3 0.9 14.2 32.8 172 178 A A T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.531 113.5-122.0 -77.0 -7.4 1.9 11.3 30.5 173 179 A G T < 5S+ 0 0 52 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.727 84.6 105.9 77.6 23.0 4.2 10.1 33.2 174 180 A V < + 0 0 6 -5,-2.4 2,-1.9 -6,-0.1 -4,-0.2 0.275 32.1 110.4-118.7 12.3 7.4 10.3 31.1 175 181 A Y + 0 0 67 -6,-0.7 -1,-0.1 -5,-0.2 -5,-0.0 -0.512 51.5 170.2 -88.8 72.5 9.2 13.4 32.3 176 182 A H > - 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