==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-OCT-09 3K8Q . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HO,S.C.ALMO,V.L.SCHARMM . 286 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.7 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 0.3 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 0 1 0 0 1 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 M 0 0 128 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 -6.5 3.9 76.0 2 2 A E - 0 0 137 147,-0.1 147,-0.1 148,-0.0 2,-0.1 -0.975 360.0 -91.1-153.9 150.6 -7.0 7.6 76.6 3 3 A N - 0 0 31 -2,-0.3 144,-0.0 145,-0.3 92,-0.0 -0.396 33.5-140.8 -50.9 126.4 -5.2 10.9 76.2 4 4 A G S S+ 0 0 44 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.603 77.5 85.8 -71.1 -11.0 -3.4 11.5 79.6 5 5 A Y - 0 0 29 89,-0.1 2,-0.1 3,-0.0 -2,-0.1 -0.793 64.5-154.1-101.0 125.0 -4.2 15.3 79.4 6 6 A T > - 0 0 77 -2,-0.5 4,-1.3 1,-0.1 5,-0.2 -0.478 34.8-107.0 -83.0 166.5 -7.4 16.8 80.6 7 7 A Y H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.932 122.0 59.4 -57.7 -39.7 -8.8 20.0 79.2 8 8 A E H > S+ 0 0 101 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.900 100.4 56.1 -55.3 -40.4 -7.8 21.6 82.5 9 9 A D H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 108.5 45.5 -61.1 -42.2 -4.1 20.6 81.9 10 10 A Y H X S+ 0 0 3 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.915 114.9 48.6 -67.8 -42.9 -4.0 22.4 78.5 11 11 A K H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.978 110.4 51.5 -60.3 -53.2 -5.7 25.4 80.0 12 12 A N H X S+ 0 0 64 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.866 109.6 48.7 -50.4 -45.5 -3.3 25.4 82.9 13 13 A T H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.920 112.6 49.4 -63.6 -44.0 -0.2 25.3 80.7 14 14 A A H >X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 3,-0.5 0.927 110.0 49.3 -58.6 -49.8 -1.5 28.1 78.5 15 15 A E H 3X S+ 0 0 91 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.870 107.8 55.0 -63.2 -37.0 -2.3 30.4 81.5 16 16 A W H 3< S+ 0 0 64 -4,-2.0 -1,-0.3 -5,-0.3 4,-0.2 0.807 112.9 42.8 -61.1 -34.0 1.2 29.8 82.9 17 17 A L H XX S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.5 4,-0.7 0.900 111.3 52.9 -81.5 -42.4 2.6 31.0 79.6 18 18 A L H >< S+ 0 0 51 -4,-3.2 3,-0.7 1,-0.3 -2,-0.2 0.905 113.1 47.9 -54.4 -40.8 0.2 33.9 79.4 19 19 A S T 3< S+ 0 0 99 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.525 112.5 46.8 -76.1 -13.1 1.4 34.8 82.9 20 20 A H T <4 S+ 0 0 90 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.343 112.5 45.1-118.8 7.0 5.1 34.5 82.2 21 21 A T << - 0 0 10 -4,-0.7 -1,-0.2 -3,-0.7 25,-0.0 -0.992 57.0-152.4-152.2 143.4 5.3 36.4 79.0 22 22 A K S S+ 0 0 196 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.0 0.713 72.0 102.5 -87.6 -22.9 3.9 39.6 77.7 23 23 A H - 0 0 27 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.1 -0.218 53.7-163.8 -59.6 146.0 3.9 38.3 74.1 24 24 A R - 0 0 127 47,-0.1 53,-0.2 83,-0.0 55,-0.1 -0.814 17.2-154.4-131.8 94.9 0.7 37.1 72.4 25 25 A P - 0 0 5 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.209 23.8-178.2 -77.6 161.2 1.6 35.0 69.4 26 26 A Q S S+ 0 0 18 51,-3.1 83,-3.4 1,-0.2 84,-1.6 0.551 74.9 54.5-121.1 -36.1 -0.6 34.5 66.4 27 27 A V E -ab 78 110A 0 50,-1.9 52,-2.2 81,-0.2 2,-0.5 -0.912 64.8-162.8-109.3 125.2 1.8 32.2 64.5 28 28 A A E -ab 79 111A 0 82,-2.3 84,-3.1 -2,-0.5 2,-0.4 -0.895 10.3-165.3-102.2 134.5 3.3 29.0 65.9 29 29 A I E -ab 80 112A 0 50,-2.7 52,-2.8 -2,-0.5 2,-0.6 -0.970 11.2-160.1-120.6 133.9 6.3 27.6 64.2 30 30 A I E -ab 81 113A 0 82,-3.1 84,-2.1 -2,-0.4 2,-0.5 -0.937 17.3-148.0-109.9 108.7 7.7 24.1 64.6 31 31 A C E -a 82 0A 5 50,-1.8 52,-0.6 -2,-0.6 2,-0.2 -0.626 11.5-137.5 -80.6 120.1 11.3 24.1 63.4 32 32 A G > - 0 0 1 -2,-0.5 3,-0.9 83,-0.1 83,-0.2 -0.587 39.5 -91.6 -77.7 141.4 12.3 20.7 61.9 33 33 A S G > S+ 0 0 89 1,-0.2 3,-0.7 -2,-0.2 -1,-0.1 0.681 126.1 67.3 -20.4 -46.3 15.8 19.4 63.0 34 34 A G G 3 S+ 0 0 24 1,-0.2 2,-1.0 2,-0.1 3,-0.3 0.930 106.2 31.5 -33.3 -77.9 16.9 21.3 59.7 35 35 A L G X + 0 0 6 -3,-0.9 3,-0.6 1,-0.2 -1,-0.2 -0.514 59.8 132.6-105.1 67.9 16.2 24.9 60.9 36 36 A G G X + 0 0 21 -2,-1.0 3,-1.4 -3,-0.7 -1,-0.2 0.748 66.9 79.7 -72.9 -24.4 16.7 25.5 64.6 37 37 A G G > + 0 0 30 -3,-0.3 3,-2.3 1,-0.3 4,-0.3 0.690 65.7 89.9 -56.6 -19.2 18.7 28.6 63.6 38 38 A L G X + 0 0 2 -3,-0.6 3,-1.0 1,-0.3 4,-0.4 0.638 69.3 74.1 -57.4 -16.1 15.5 30.6 63.0 39 39 A T G X S+ 0 0 17 -3,-1.4 3,-0.7 1,-0.3 -1,-0.3 0.760 83.0 67.4 -75.2 -22.7 15.5 31.8 66.6 40 40 A D G < S+ 0 0 120 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.816 96.6 57.6 -57.0 -31.0 18.3 34.1 65.9 41 41 A K G < S+ 0 0 98 -3,-1.0 33,-0.3 -4,-0.3 -1,-0.2 0.633 84.7 95.2 -85.3 -13.4 16.0 36.1 63.6 42 42 A L < - 0 0 9 -3,-0.7 2,-0.3 -4,-0.4 3,-0.2 -0.303 63.6-146.2 -70.1 158.0 13.3 36.9 66.2 43 43 A T E S+C 72 0A 83 29,-1.7 29,-2.3 1,-0.2 3,-0.1 -0.965 79.4 24.9-129.4 153.7 13.3 40.1 68.0 44 44 A Q E S- 0 0 139 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.845 92.9-168.4 61.5 38.2 12.3 40.8 71.6 45 45 A A E - 0 0 58 -3,-0.2 2,-0.4 26,-0.1 26,-0.2 -0.326 16.7-174.4 -69.1 133.6 13.1 37.1 71.9 46 46 A Q E -C 70 0A 65 24,-2.8 24,-2.7 -3,-0.1 2,-0.4 -0.983 8.3-155.9-134.0 125.0 12.0 35.3 75.1 47 47 A I E -C 69 0A 81 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.797 12.9-176.8-108.1 134.8 13.0 31.8 75.9 48 48 A F E -C 68 0A 10 20,-3.4 20,-3.0 -2,-0.4 2,-0.2 -0.997 26.2-130.9-121.5 128.7 11.4 29.0 78.1 49 49 A D E >> -C 67 0A 57 -2,-0.4 3,-2.0 18,-0.2 4,-0.5 -0.545 21.5-127.0 -66.8 136.0 13.0 25.6 78.5 50 50 A Y G >4 S+ 0 0 1 16,-3.2 3,-2.1 1,-0.3 6,-0.3 0.909 109.0 66.7 -49.0 -40.2 10.4 22.9 78.0 51 51 A S G 34 S+ 0 0 51 15,-0.4 -1,-0.3 11,-0.3 4,-0.1 0.657 98.0 51.3 -56.1 -23.2 11.4 21.6 81.4 52 52 A E G <4 S+ 0 0 95 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.549 92.0 92.4 -87.6 -14.3 10.1 24.7 83.2 53 53 A I S X< S- 0 0 0 -3,-2.1 3,-1.5 -4,-0.5 -40,-0.1 -0.735 83.9-112.7 -92.9 127.6 6.7 24.5 81.5 54 54 A P T 3 S+ 0 0 38 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.269 93.5 2.9 -53.2 139.7 4.0 22.7 83.3 55 55 A N T 3 S+ 0 0 51 1,-0.2 3,-0.1 -4,-0.1 -4,-0.1 0.407 89.4 144.8 67.9 3.3 2.7 19.4 81.6 56 56 A F < - 0 0 2 -3,-1.5 -1,-0.2 -6,-0.3 39,-0.0 -0.491 62.5 -95.4 -71.9 139.6 5.3 19.6 78.8 57 57 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.268 47.2-133.1 -48.6 138.5 6.6 16.3 77.6 58 58 A R - 0 0 120 -3,-0.1 2,-0.3 -7,-0.0 5,-0.1 -0.743 9.6-148.0-101.3 143.8 9.8 15.5 79.3 59 59 A S - 0 0 26 -2,-0.3 6,-0.1 3,-0.3 7,-0.0 -0.793 30.9-118.1 -93.5 149.8 13.2 14.3 78.0 60 60 A T S S+ 0 0 146 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.962 118.4 43.7 -57.8 -52.9 15.2 12.1 80.4 61 61 A V S > S- 0 0 84 1,-0.1 3,-2.0 -3,-0.1 4,-0.4 -0.833 101.0-143.1 -82.2 96.5 18.1 14.7 80.4 62 62 A P G > S+ 0 0 71 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.604 88.2 53.2 -40.7 -39.1 15.5 17.7 80.7 63 63 A G G > S+ 0 0 42 1,-0.2 3,-1.1 2,-0.2 -13,-0.2 0.747 92.7 71.5 -72.3 -27.5 17.3 20.3 78.5 64 64 A H G < S+ 0 0 155 -3,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.689 84.5 70.0 -65.8 -22.0 17.6 18.1 75.4 65 65 A A G < S- 0 0 8 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 0.884 101.8-144.7 -57.2 -42.6 13.8 18.4 75.0 66 66 A G < - 0 0 10 -3,-1.1 -16,-3.2 -4,-0.3 -15,-0.4 -0.728 13.1 -58.9 111.7-155.4 14.4 22.1 73.9 67 67 A R E -CD 49 82A 81 15,-2.0 15,-2.5 -2,-0.3 2,-0.4 -0.909 17.4-134.8-141.8 145.7 12.8 25.5 74.2 68 68 A L E -CD 48 81A 0 -20,-3.0 -20,-3.4 -2,-0.3 2,-0.5 -0.898 28.9-167.6 -94.0 135.9 9.8 27.6 73.5 69 69 A V E -CD 47 80A 2 11,-1.8 11,-2.5 -2,-0.4 2,-0.3 -0.965 2.8-164.6-134.2 107.6 10.9 31.0 72.1 70 70 A F E +CD 46 79A 1 -24,-2.7 -24,-2.8 -2,-0.5 2,-0.3 -0.711 33.7 106.4 -85.9 144.8 8.4 33.9 71.8 71 71 A G E - D 0 78A 1 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.988 63.7 -64.9 175.3-163.4 9.2 36.9 69.7 72 72 A F E -CD 43 77A 66 -29,-2.3 -29,-1.7 -2,-0.3 2,-0.5 -0.922 33.5-172.9-115.4 129.9 8.5 38.9 66.6 73 73 A L E > S- D 0 76A 0 3,-2.9 3,-2.9 -2,-0.5 -31,-0.1 -0.976 75.8 -29.1-123.6 115.5 9.4 37.6 63.2 74 74 A N T 3 S- 0 0 87 -2,-0.5 -1,-0.1 -33,-0.3 3,-0.1 0.873 127.3 -46.1 47.2 46.0 9.0 40.1 60.3 75 75 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 204,-0.0 -1,-0.3 0.435 115.5 116.1 78.6 0.3 6.3 41.9 62.2 76 76 A R E < - D 0 73A 31 -3,-2.9 -3,-2.9 208,-0.0 2,-0.9 -0.901 69.5-125.1-104.8 130.9 4.4 38.7 63.2 77 77 A A E - D 0 72A 20 -2,-0.5 -51,-3.1 -5,-0.2 -50,-1.9 -0.575 45.8-179.6 -64.8 100.7 4.0 37.7 66.8 78 78 A C E -aD 27 71A 1 -7,-2.8 -7,-2.4 -2,-0.9 2,-0.4 -0.724 30.7-161.1-109.0 157.2 5.5 34.1 66.8 79 79 A V E -aD 28 70A 0 -52,-2.2 -50,-2.7 -2,-0.3 2,-0.4 -0.995 22.3-160.6-129.5 127.8 6.1 31.3 69.2 80 80 A M E -aD 29 69A 0 -11,-2.5 -11,-1.8 -2,-0.4 2,-0.7 -0.925 15.5-143.7-114.3 140.2 8.7 28.7 68.0 81 81 A M E -aD 30 68A 4 -52,-2.8 -50,-1.8 -2,-0.4 2,-0.7 -0.881 13.9-171.7 -95.8 117.5 9.4 25.1 69.1 82 82 A Q E S+aD 31 67A 49 -15,-2.5 -15,-2.0 -2,-0.7 2,-0.1 -0.907 73.4 19.9-108.9 102.1 13.1 24.5 69.0 83 83 A G S S- 0 0 32 -2,-0.7 2,-0.3 -52,-0.6 -52,-0.1 0.036 78.1-161.6 99.0 133.9 13.1 20.7 69.6 84 84 A R - 0 0 16 -2,-0.1 2,-0.4 -54,-0.1 12,-0.1 -0.869 18.1-104.2-142.4 172.1 10.1 18.6 68.9 85 85 A F - 0 0 2 11,-0.4 2,-0.3 -2,-0.3 -2,-0.0 -0.850 26.6-165.1-109.2 138.6 8.8 15.1 69.9 86 86 A H > > - 0 0 31 -2,-0.4 3,-1.4 134,-0.1 5,-1.0 -0.935 27.5-129.4-116.9 151.8 8.7 12.0 67.7 87 87 A M G > 5S+ 0 0 29 132,-0.5 3,-1.9 -2,-0.3 -1,-0.1 0.805 106.8 66.7 -67.1 -28.3 6.8 8.8 68.3 88 88 A Y G 3 5S+ 0 0 89 131,-0.3 -1,-0.3 108,-0.3 108,-0.0 0.660 91.7 63.2 -69.0 -13.6 10.0 6.8 67.6 89 89 A E G < 5S- 0 0 90 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.496 128.1 -96.9 -81.6 -4.6 11.4 8.3 70.9 90 90 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.316 78.0 141.3 105.2 -7.0 8.6 6.5 72.8 91 91 A Y < - 0 0 31 -5,-1.0 -1,-0.3 2,-0.1 2,-0.1 -0.489 50.6-129.4 -73.2 131.3 6.1 9.3 73.1 92 92 A P >> - 0 0 47 0, 0.0 3,-2.0 0, 0.0 4,-1.9 -0.478 32.4-110.0 -65.2 155.7 2.4 8.5 72.6 93 93 A L H 3> S+ 0 0 8 1,-0.3 4,-1.9 2,-0.2 -2,-0.1 0.671 115.6 66.4 -70.1 -19.2 0.9 11.0 70.1 94 94 A W H 34 S+ 0 0 48 2,-0.2 -1,-0.3 1,-0.2 -89,-0.1 0.561 109.0 41.2 -77.5 -6.9 -1.1 12.8 72.6 95 95 A K H X4 S+ 0 0 70 -3,-2.0 3,-1.3 2,-0.1 -2,-0.2 0.770 109.3 56.8 -98.0 -46.9 2.2 13.9 74.0 96 96 A V H 3< S+ 0 0 5 -4,-1.9 -11,-0.4 1,-0.2 -2,-0.2 0.886 118.0 35.3 -47.4 -39.2 3.8 14.5 70.7 97 97 A T T 3X S+ 0 0 2 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.317 83.8 105.6-105.7 6.5 1.0 17.0 69.9 98 98 A F H <> S+ 0 0 0 -3,-1.3 4,-1.4 1,-0.2 3,-0.4 0.856 76.7 58.0 -52.5 -40.1 0.3 18.5 73.3 99 99 A P H > S+ 0 0 1 0, 0.0 4,-3.4 0, 0.0 3,-0.5 0.935 96.0 64.1 -62.8 -36.1 2.0 21.8 72.4 100 100 A V H > S+ 0 0 1 -3,-0.4 4,-2.0 1,-0.3 -2,-0.2 0.851 105.5 42.5 -56.5 -39.8 -0.3 22.4 69.5 101 101 A R H X S+ 0 0 18 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.3 0.785 110.7 56.5 -78.7 -28.2 -3.3 22.7 71.7 102 102 A V H X S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.5 -2,-0.2 0.976 107.2 50.9 -60.6 -52.4 -1.4 24.8 74.1 103 103 A F H ><>S+ 0 0 0 -4,-3.4 5,-2.1 1,-0.3 3,-1.3 0.911 108.4 50.6 -48.8 -52.7 -0.7 27.2 71.2 104 104 A H H ><5S+ 0 0 55 -4,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.903 109.2 50.5 -56.2 -43.4 -4.4 27.3 70.2 105 105 A L H 3<5S+ 0 0 40 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.672 102.5 62.5 -71.0 -13.6 -5.3 28.2 73.8 106 106 A L T <<5S- 0 0 9 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.480 126.5-101.9 -82.2 -5.1 -2.7 30.9 73.7 107 107 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.458 71.5 151.0 89.6 6.3 -4.7 32.6 70.8 108 108 A V < - 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0 0 25 23,-2.5 -58,-0.0 -2,-0.5 -2,-0.0 -0.893 33.9-127.7-125.9 164.5 6.4 6.6 58.9 196 196 A A + 0 0 34 -2,-0.3 -108,-0.3 1,-0.1 23,-0.1 0.812 54.2 144.0 -90.1 -23.7 7.3 6.0 62.5 197 197 A G + 0 0 33 1,-0.1 -1,-0.1 21,-0.1 3,-0.1 -0.247 43.9 176.2 60.4-155.1 11.0 4.9 62.2 198 198 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.988 81.3 60.0 -91.0 -3.2 13.4 5.2 63.8 199 199 A S S S- 0 0 92 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.433 92.8-102.8 -78.5 160.4 15.4 2.9 61.4 200 200 A F - 0 0 85 55,-0.1 -1,-0.1 1,-0.1 56,-0.0 -0.450 40.2 -91.4 -88.4 159.6 15.6 4.0 57.7 201 201 A E - 0 0 39 -2,-0.1 54,-0.2 1,-0.1 45,-0.2 -0.218 33.8-126.4 -68.8 153.3 13.6 2.5 54.9 202 202 A T > - 0 0 69 1,-0.1 4,-2.8 43,-0.1 5,-0.2 -0.412 31.6-102.1 -87.1 169.9 14.7 -0.5 52.8 203 203 A V H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.962 126.5 48.2 -53.2 -52.8 14.8 -0.4 49.0 204 204 A A H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 110.3 51.2 -63.6 -33.6 11.6 -2.3 48.9 205 205 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.957 108.3 52.1 -66.3 -49.3 10.0 -0.0 51.5 206 206 A C H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.901 107.4 52.0 -45.7 -47.9 10.9 3.0 49.4 207 207 A R H X S+ 0 0 106 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.860 107.9 52.5 -64.5 -34.6 9.4 1.5 46.3 208 208 A V H X S+ 0 0 85 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.2 0.918 110.7 47.0 -62.6 -44.6 6.2 1.0 48.3 209 209 A L H ><>S+ 0 0 8 -4,-2.4 5,-1.8 2,-0.2 3,-1.0 0.920 110.1 52.6 -69.8 -40.4 6.1 4.6 49.4 210 210 A Q H ><5S+ 0 0 69 -4,-2.8 3,-2.3 1,-0.3 -1,-0.2 0.970 108.2 51.7 -54.5 -51.3 6.8 5.8 45.9 211 211 A K H 3<5S+ 0 0 194 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.612 99.1 63.2 -67.4 -9.4 3.9 3.7 44.6 212 212 A L T <<5S- 0 0 83 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.526 121.6-107.9 -83.8 -5.9 1.5 5.2 47.3 213 213 A G T < 5 + 0 0 46 -3,-2.3 -22,-0.3 -4,-0.4 2,-0.2 0.646 69.1 150.4 89.1 15.8 2.2 8.5 45.5 214 214 A A < - 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0 0 13 -126,-1.9 2,-0.2 -2,-0.6 -43,-0.1 -0.285 33.5-101.1 -66.8 141.4 16.2 7.6 49.4 246 246 A I + 0 0 42 -45,-0.2 -40,-0.2 1,-0.1 -1,-0.1 -0.462 44.1 177.0 -65.1 125.5 18.1 4.6 48.1 247 247 A M + 0 0 42 -2,-0.2 2,-0.3 -41,-0.1 -1,-0.1 0.402 52.9 42.0-119.1 -1.7 15.9 3.0 45.3 248 248 A D S S- 0 0 71 1,-0.1 3,-0.4 -41,-0.0 -1,-0.0 -0.960 72.1-121.9-145.3 165.5 17.9 0.1 43.8 249 249 A Y S S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.710 99.8 65.2 -86.4 -20.5 20.1 -2.7 45.0 250 250 A E S S+ 0 0 166 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 0.757 77.3 104.6 -73.4 -22.4 23.4 -2.0 43.1 251 251 A S - 0 0 50 -3,-0.4 -5,-0.0 1,-0.1 -3,-0.0 -0.310 56.8-158.7 -63.1 135.1 24.0 1.3 45.0 252 252 A L + 0 0 176 2,-0.0 2,-0.1 -2,-0.0 -1,-0.1 0.524 61.2 103.0 -89.6 -4.0 26.7 1.2 47.6 253 253 A E - 0 0 154 1,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.458 53.6-158.4 -85.8 152.0 25.3 4.3 49.4 254 254 A K - 0 0 170 -2,-0.1 2,-0.3 -9,-0.0 -2,-0.0 -0.953 24.3-110.0-128.2 144.5 23.3 4.3 52.7 255 255 A A + 0 0 30 -2,-0.3 2,-0.3 -54,-0.2 -55,-0.1 -0.570 48.8 172.7 -67.0 131.3 20.8 6.8 54.3 256 256 A N > - 0 0 66 -2,-0.3 4,-0.9 1,-0.1 3,-0.1 -0.985 43.6-124.7-146.1 156.0 22.5 8.3 57.5 257 257 A H H > S+ 0 0 120 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.774 104.5 61.1 -69.2 -32.2 22.0 11.0 60.1 258 258 A E H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 107.1 44.4 -63.3 -45.1 25.3 12.8 59.6 259 259 A E H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.705 111.1 54.7 -75.9 -22.5 24.5 13.7 56.0 260 260 A V H X S+ 0 0 19 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.902 111.6 44.4 -71.8 -45.4 20.9 14.7 57.0 261 261 A L H X S+ 0 0 91 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.883 112.7 53.4 -61.2 -40.8 22.4 17.1 59.6 262 262 A A H X S+ 0 0 40 -4,-2.2 4,-1.3 2,-0.2 3,-0.2 0.927 108.5 47.7 -59.1 -51.9 25.0 18.3 56.9 263 263 A A H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.873 105.4 60.2 -56.8 -44.4 22.2 19.1 54.3 264 264 A G H < S+ 0 0 6 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.911 103.7 53.1 -44.3 -49.0 20.4 20.9 57.1 265 265 A K H < S+ 0 0 154 -4,-1.6 3,-0.5 -3,-0.2 4,-0.4 0.856 106.0 50.5 -58.6 -43.0 23.5 23.2 57.3 266 266 A Q H < S+ 0 0 149 -4,-1.3 4,-0.4 1,-0.2 3,-0.2 0.975 116.8 39.1 -61.7 -53.2 23.6 24.1 53.6 267 267 A A S X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.443 90.0 104.8 -79.9 2.0 20.0 25.1 53.4 268 268 A A H >> S+ 0 0 16 -3,-0.5 4,-1.6 -4,-0.5 3,-1.0 0.935 85.2 33.2 -46.2 -79.1 20.2 26.8 56.8 269 269 A Q H >> S+ 0 0 129 -4,-0.4 4,-1.9 1,-0.2 3,-1.0 0.924 116.7 57.5 -41.8 -64.3 20.3 30.5 55.8 270 270 A K H 3> S+ 0 0 73 -4,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.773 107.8 48.0 -33.6 -46.1 18.0 29.9 52.7 271 271 A L H < S+ 0 0 60 -4,-3.2 3,-1.7 -5,-0.3 4,-0.5 0.938 106.4 60.9 -66.1 -42.0 9.6 36.5 54.4 278 278 A L H >X S+ 0 0 7 -4,-2.5 3,-1.9 -5,-0.3 4,-0.7 0.834 86.6 78.0 -54.5 -33.3 6.6 34.2 54.4 279 279 A M G >< S+ 0 0 2 -4,-1.7 3,-1.6 -3,-0.3 -1,-0.3 0.850 87.1 58.0 -38.5 -47.8 5.6 35.7 57.6 280 280 A A G <4 S+ 0 0 59 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.749 99.0 58.3 -61.6 -28.5 4.3 38.8 55.8 281 281 A S G <4 S+ 0 0 26 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.597 81.1 103.9 -76.0 -14.6 1.9 36.7 53.6 282 282 A I S << S- 0 0 7 -3,-1.6 -172,-0.0 -4,-0.7 -255,-0.0 -0.616 82.7-115.0 -72.3 121.2 0.1 35.4 56.7 283 283 A P - 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