==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PENTOSYLTRANSFERASE 10-APR-98 1A9Q . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.MAO,W.J.COOK,M.ZHOU,A.A.FEDOROV,S.C.ALMO,S.E.EALICK . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.8 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 0.4 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 23.8 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 0 3 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 1 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 0 117 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 14.6 66.0 69.4 2 2 A Q - 0 0 49 147,-0.1 147,-0.2 0, 0.0 146,-0.1 -0.994 360.0 -98.5-140.1 141.6 10.9 66.4 68.6 3 3 A N - 0 0 47 145,-0.6 144,-0.0 -2,-0.3 92,-0.0 -0.362 25.7-149.6 -57.6 131.8 8.5 69.2 69.4 4 4 A G S S+ 0 0 48 -2,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.435 70.6 89.4 -85.4 -0.8 6.4 68.3 72.4 5 5 A Y - 0 0 29 89,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.873 65.3-149.3-103.1 126.4 3.4 70.2 71.3 6 6 A T >> - 0 0 67 -2,-0.5 3,-1.4 1,-0.1 4,-1.2 -0.541 33.3-106.9 -84.0 158.3 0.7 68.5 69.2 7 7 A Y H 3> S+ 0 0 35 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.866 121.4 58.8 -52.6 -37.1 -1.2 70.7 66.7 8 8 A E H 3> S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.786 97.3 59.9 -64.1 -30.8 -4.2 70.4 69.0 9 9 A D H <> S+ 0 0 39 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.946 107.3 45.0 -62.3 -48.5 -2.3 71.9 71.9 10 10 A Y H X S+ 0 0 3 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.926 113.5 50.6 -59.2 -47.8 -1.7 75.2 69.9 11 11 A Q H X S+ 0 0 64 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.835 107.8 52.6 -59.6 -40.1 -5.4 75.2 68.9 12 12 A D H X S+ 0 0 95 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.927 110.7 47.1 -63.8 -46.4 -6.6 74.8 72.4 13 13 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.930 113.3 49.0 -61.1 -45.0 -4.5 77.7 73.6 14 14 A A H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 111.1 50.0 -60.5 -43.9 -5.8 79.8 70.7 15 15 A K H X S+ 0 0 124 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.826 108.2 53.6 -64.2 -34.1 -9.4 78.8 71.4 16 16 A W H < S+ 0 0 60 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.900 108.9 48.4 -68.4 -42.8 -9.0 79.8 75.1 17 17 A L H >X S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.2 4,-0.8 0.946 109.2 52.5 -63.0 -46.5 -7.7 83.2 74.2 18 18 A L H 3< S+ 0 0 48 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.818 108.5 51.2 -60.3 -32.2 -10.6 83.9 71.7 19 19 A S T 3< S+ 0 0 87 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.519 112.1 47.6 -84.1 -4.8 -13.2 83.0 74.3 20 20 A H T <4 S+ 0 0 87 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.437 114.8 36.0-114.0 -2.1 -11.6 85.4 76.9 21 21 A T < - 0 0 9 -4,-0.8 -1,-0.2 -3,-0.4 25,-0.0 -0.981 57.3-148.1-147.1 151.5 -11.2 88.5 74.8 22 22 A E + 0 0 125 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 0.515 69.8 109.7 -95.1 -8.6 -13.2 90.2 72.0 23 23 A Q - 0 0 15 21,-0.1 -2,-0.1 1,-0.1 49,-0.0 -0.384 48.8-168.9 -67.7 143.2 -9.9 91.5 70.4 24 24 A R - 0 0 127 -2,-0.1 53,-0.2 83,-0.0 -1,-0.1 -0.780 14.0-159.7-136.8 86.4 -8.9 90.0 67.1 25 25 A P - 0 0 8 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.252 21.7-173.6 -68.2 152.4 -5.3 91.1 66.3 26 26 A Q S S+ 0 0 48 51,-2.1 83,-2.9 1,-0.2 84,-2.0 0.535 77.1 51.0-115.0 -22.3 -3.7 91.0 62.8 27 27 A V E -ab 78 110A 0 50,-1.2 52,-1.6 81,-0.2 2,-0.4 -0.920 66.5-161.7-119.2 141.6 -0.2 92.0 64.0 28 28 A A E -ab 79 111A 0 82,-2.6 84,-2.6 -2,-0.4 2,-0.4 -0.986 6.9-162.5-123.7 133.5 1.8 90.3 66.8 29 29 A V E -ab 80 112A 0 50,-2.7 52,-2.7 -2,-0.4 2,-0.8 -0.979 9.6-158.8-122.0 128.7 4.7 92.1 68.5 30 30 A I E -ab 81 113A 0 82,-2.5 84,-1.5 -2,-0.4 2,-0.3 -0.915 25.7-144.2-104.7 105.5 7.4 90.4 70.6 31 31 A C E +a 82 0A 2 50,-1.9 52,-0.7 -2,-0.8 2,-0.2 -0.565 30.2 157.1 -79.8 133.9 8.9 93.2 72.7 32 32 A G > + 0 0 7 -2,-0.3 3,-1.9 83,-0.1 4,-0.2 -0.620 50.6 18.7-132.3-171.0 12.6 93.3 73.5 33 33 A S G > S- 0 0 26 1,-0.3 3,-0.9 -2,-0.2 83,-0.1 0.072 127.4 -26.4 42.5-144.8 14.8 96.2 74.6 34 34 A G G > S+ 0 0 13 1,-0.2 3,-0.7 81,-0.1 -1,-0.3 0.181 116.5 94.7 -84.6 18.5 13.1 99.4 75.8 35 35 A L G X + 0 0 0 -3,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.526 55.1 93.4 -85.5 -4.2 10.1 98.5 73.8 36 36 A G G X S+ 0 0 10 -3,-0.9 3,-0.8 1,-0.3 -1,-0.2 0.755 78.3 60.8 -58.7 -23.4 8.6 96.9 76.9 37 37 A G G X S+ 0 0 20 -3,-0.7 3,-2.4 1,-0.2 -1,-0.3 0.598 75.7 93.6 -80.2 -9.6 6.9 100.2 77.6 38 38 A L G X S+ 0 0 0 -3,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.724 70.4 71.8 -55.6 -22.8 5.0 100.0 74.3 39 39 A V G X S+ 0 0 26 -3,-0.8 3,-1.3 1,-0.3 -1,-0.3 0.775 84.5 69.7 -64.8 -24.1 2.1 98.4 76.3 40 40 A N G < S+ 0 0 131 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.543 95.6 53.4 -70.7 -10.7 1.4 101.8 77.8 41 41 A K G < S+ 0 0 112 -3,-1.6 33,-0.4 -4,-0.2 -1,-0.3 0.184 82.3 112.8-110.7 16.3 0.2 103.2 74.5 42 42 A L < - 0 0 21 -3,-1.3 2,-0.4 31,-0.1 3,-0.3 -0.589 57.9-139.1 -87.9 150.2 -2.4 100.5 73.7 43 43 A T E S+C 72 0A 83 29,-2.1 29,-2.3 -2,-0.2 -2,-0.1 -0.884 84.1 6.6-108.0 143.6 -6.1 101.4 73.6 44 44 A Q E S- 0 0 128 -2,-0.4 -1,-0.2 27,-0.2 -21,-0.1 0.840 91.4-173.6 55.6 36.5 -8.7 99.0 75.1 45 45 A A E - 0 0 53 -3,-0.3 2,-0.4 27,-0.1 26,-0.2 -0.262 14.9-170.6 -64.2 146.2 -5.8 96.9 76.4 46 46 A Q E -C 70 0A 58 24,-1.8 24,-2.7 2,-0.0 2,-0.3 -0.982 11.3-148.6-140.8 125.4 -6.4 93.5 78.0 47 47 A T E -C 69 0A 74 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.785 13.2-173.1-104.5 142.2 -3.7 91.6 79.8 48 48 A F E -C 68 0A 9 20,-2.2 20,-3.3 -2,-0.3 2,-0.3 -0.999 22.2-135.7-130.3 124.9 -3.1 87.9 80.3 49 49 A D E >> -C 67 0A 63 -2,-0.4 3,-2.0 18,-0.2 4,-0.5 -0.650 23.0-124.0 -78.7 138.4 -0.3 86.7 82.5 50 50 A Y G >4 S+ 0 0 1 16,-1.9 3,-1.2 -2,-0.3 6,-0.2 0.850 108.8 62.2 -51.7 -35.3 1.6 83.8 80.8 51 51 A S G 34 S+ 0 0 99 15,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.660 100.2 52.4 -67.5 -18.5 0.8 81.6 83.8 52 52 A E G <4 S+ 0 0 100 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.503 90.4 87.0 -96.2 -4.9 -3.0 81.8 83.3 53 53 A I S X< S- 0 0 5 -3,-1.2 3,-1.5 -4,-0.5 -40,-0.1 -0.855 87.1-114.5 -97.9 120.4 -2.9 80.8 79.7 54 54 A P T 3 S+ 0 0 55 0, 0.0 -2,-0.1 0, 0.0 -38,-0.1 -0.128 93.8 6.4 -52.5 143.3 -3.0 77.0 79.2 55 55 A N T 3 S+ 0 0 69 1,-0.2 3,-0.1 -4,-0.1 -4,-0.1 0.220 91.4 137.3 68.0 -13.1 0.1 75.4 77.6 56 56 A F < - 0 0 18 -3,-1.5 -1,-0.2 -6,-0.2 3,-0.1 -0.402 63.1-105.8 -65.3 133.8 2.0 78.7 77.7 57 57 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.284 45.1 -91.4 -60.5 145.2 5.6 78.2 78.8 58 58 A E - 0 0 117 1,-0.1 2,-0.1 -3,-0.1 -7,-0.0 -0.185 47.2-105.9 -55.3 147.3 6.3 79.3 82.3 59 59 A S + 0 0 49 1,-0.1 -1,-0.1 7,-0.1 26,-0.1 -0.463 45.9 158.3 -77.3 152.1 7.5 82.9 82.6 60 60 A T + 0 0 47 24,-0.2 -1,-0.1 -2,-0.1 24,-0.1 0.030 25.6 148.3-160.2 27.2 11.2 83.8 83.4 61 61 A V - 0 0 27 21,-0.1 2,-0.3 22,-0.1 5,-0.2 -0.539 39.0-138.8 -78.9 131.5 11.4 87.3 82.1 62 62 A P S S- 0 0 72 0, 0.0 2,-1.9 0, 0.0 -1,-0.0 -0.696 76.1 -12.1 -89.7 138.2 13.7 89.9 83.7 63 63 A G S S+ 0 0 86 -2,-0.3 2,-0.6 20,-0.0 -2,-0.1 -0.545 127.5 62.4 76.8 -83.1 12.5 93.4 84.3 64 64 A H S S- 0 0 59 -2,-1.9 3,-0.0 1,-0.1 -27,-0.0 -0.684 90.7-128.1 -81.0 115.7 9.4 93.2 82.1 65 65 A A - 0 0 36 -2,-0.6 2,-1.1 1,-0.1 17,-0.1 -0.307 30.0 -93.8 -64.4 147.1 7.0 90.6 83.5 66 66 A G + 0 0 6 -5,-0.2 -16,-1.9 15,-0.1 -15,-0.3 -0.475 66.8 145.2 -68.1 96.4 5.6 87.9 81.3 67 67 A R E -CD 49 82A 88 15,-1.3 15,-3.1 -2,-1.1 2,-0.6 -0.952 43.1-143.2-132.4 150.4 2.3 89.2 80.1 68 68 A L E -CD 48 81A 0 -20,-3.3 -20,-2.2 -2,-0.3 2,-0.5 -0.976 26.9-164.7-112.8 118.3 0.4 88.9 76.8 69 69 A V E -CD 47 80A 4 11,-2.8 11,-3.2 -2,-0.6 2,-0.3 -0.934 10.4-163.4-115.7 130.2 -1.3 92.1 76.0 70 70 A F E +CD 46 79A 2 -24,-2.7 -24,-1.8 -2,-0.5 2,-0.3 -0.808 33.8 115.9-102.9 147.1 -4.1 92.7 73.4 71 71 A G E - D 0 78A 1 7,-2.3 7,-3.3 -2,-0.3 2,-0.5 -0.983 61.1 -79.9 173.3 178.0 -4.9 96.2 72.3 72 72 A I E -CD 43 77A 30 -29,-2.3 -29,-2.1 -2,-0.3 2,-0.5 -0.920 35.5-171.1-106.4 124.6 -5.1 98.9 69.6 73 73 A L E > S- D 0 76A 1 3,-3.1 3,-1.9 -2,-0.5 -31,-0.1 -0.974 73.1 -23.6-119.6 115.6 -1.9 100.7 68.7 74 74 A N T 3 S- 0 0 83 -2,-0.5 -1,-0.2 -33,-0.4 3,-0.1 0.915 130.0 -45.9 50.3 49.1 -2.2 103.7 66.4 75 75 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.380 118.2 107.5 78.9 -1.9 -5.5 102.3 64.9 76 76 A R E < - D 0 73A 56 -3,-1.9 -3,-3.1 -50,-0.0 2,-0.5 -0.871 67.6-127.4-112.3 141.1 -4.3 98.8 64.5 77 77 A A E + D 0 72A 26 -2,-0.4 -51,-2.1 -5,-0.2 -50,-1.2 -0.748 44.3 156.2 -85.3 125.8 -5.4 95.7 66.6 78 78 A C E -aD 27 71A 1 -7,-3.3 -7,-2.3 -2,-0.5 2,-0.4 -0.897 37.4-136.9-145.2 169.9 -2.4 93.8 67.9 79 79 A V E -aD 28 70A 0 -52,-1.6 -50,-2.7 -2,-0.3 2,-0.4 -0.996 23.8-159.2-129.2 135.9 -1.2 91.4 70.6 80 80 A M E -aD 29 69A 0 -11,-3.2 -11,-2.8 -2,-0.4 2,-0.7 -0.936 15.7-139.8-124.2 143.7 2.2 91.9 72.3 81 81 A M E -aD 30 68A 2 -52,-2.7 -50,-1.9 -2,-0.4 2,-1.2 -0.884 12.9-160.4 -98.0 111.7 4.5 89.7 74.2 82 82 A Q E S+aD 31 67A 21 -15,-3.1 -15,-1.3 -2,-0.7 -21,-0.1 -0.797 75.8 2.9 -93.0 91.3 5.9 91.5 77.2 83 83 A G S S- 0 0 0 -2,-1.2 2,-0.2 -52,-0.7 -1,-0.1 0.253 76.2-147.7 103.8 132.1 9.0 89.3 77.8 84 84 A R - 0 0 12 -53,-0.1 2,-0.3 -24,-0.1 -24,-0.2 -0.657 19.2-100.0-122.2-178.0 10.1 86.3 75.8 85 85 A F - 0 0 3 11,-0.3 2,-0.4 -2,-0.2 3,-0.1 -0.757 30.0-158.4-106.0 149.6 11.8 83.0 76.4 86 86 A H > > - 0 0 33 -2,-0.3 3,-1.9 1,-0.1 5,-0.9 -0.973 26.3-128.0-130.1 147.0 15.5 82.3 75.8 87 87 A M G > 5S+ 0 0 44 132,-0.4 3,-2.6 -2,-0.4 -1,-0.1 0.893 106.9 67.6 -57.3 -38.2 17.4 79.0 75.3 88 88 A Y G 3 5S+ 0 0 92 108,-0.5 -1,-0.3 131,-0.3 109,-0.0 0.603 90.8 62.3 -61.3 -11.1 19.8 80.1 78.0 89 89 A E G < 5S- 0 0 64 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.596 127.3 -96.2 -88.4 -11.3 17.0 79.7 80.6 90 90 A G T < 5S+ 0 0 65 -3,-2.6 -3,-0.2 -4,-0.3 -2,-0.1 0.248 78.6 139.6 115.7 -9.4 16.8 76.1 79.8 91 91 A Y < - 0 0 21 -5,-0.9 -1,-0.3 1,-0.1 -2,-0.1 -0.403 50.4-128.6 -72.2 138.0 13.9 76.1 77.3 92 92 A P >> - 0 0 35 0, 0.0 4,-1.9 0, 0.0 3,-1.7 -0.441 32.7-106.0 -75.8 162.0 14.0 73.9 74.2 93 93 A F H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.791 118.7 62.9 -64.2 -23.5 13.3 75.8 71.0 94 94 A W H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.649 106.8 43.4 -76.0 -13.4 9.8 74.3 70.8 95 95 A K H X4 S+ 0 0 53 -3,-1.7 3,-0.8 2,-0.1 -2,-0.2 0.816 111.3 54.7 -93.0 -40.9 8.8 76.0 74.0 96 96 A V H 3< S+ 0 0 4 -4,-1.9 -11,-0.3 1,-0.2 -2,-0.2 0.910 114.8 39.5 -55.8 -46.4 10.5 79.3 73.0 97 97 A T T >X S+ 0 0 2 -4,-2.2 4,-1.0 1,-0.2 3,-0.8 0.440 82.7 105.6 -89.3 2.3 8.5 79.4 69.8 98 98 A F H <> S+ 0 0 0 -3,-0.8 4,-1.3 1,-0.2 3,-0.5 0.870 77.2 55.1 -49.3 -46.7 5.2 78.1 71.1 99 99 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.858 98.0 63.0 -58.3 -37.2 3.6 81.6 71.1 100 100 A V H <> S+ 0 0 1 -3,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.903 105.3 45.2 -57.2 -41.3 4.4 82.2 67.4 101 101 A R H X S+ 0 0 11 -4,-1.0 4,-1.7 -3,-0.5 -1,-0.2 0.835 110.5 53.4 -73.0 -31.4 2.2 79.3 66.3 102 102 A V H X S+ 0 0 1 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.911 106.0 54.5 -67.6 -40.3 -0.7 80.3 68.6 103 103 A F H >X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-0.9 0.887 105.5 53.2 -58.2 -43.3 -0.6 83.8 67.0 104 104 A R H ><5S+ 0 0 86 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.924 107.4 50.8 -58.3 -46.0 -1.0 82.2 63.6 105 105 A L H 3<5S+ 0 0 49 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.575 101.7 62.3 -70.9 -10.0 -4.1 80.3 64.8 106 106 A L H <<5S- 0 0 15 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.589 125.9 -97.2 -89.0 -12.5 -5.6 83.5 66.1 107 107 A G T <<5S+ 0 0 45 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.416 71.8 153.8 109.8 1.5 -5.7 85.0 62.6 108 108 A V < + 0 0 0 -5,-1.9 -1,-0.3 -6,-0.2 -81,-0.2 -0.337 18.1 175.4 -64.4 139.8 -2.4 87.0 62.9 109 109 A E + 0 0 104 -83,-2.9 125,-2.5 1,-0.2 2,-0.4 0.606 60.0 50.7-119.7 -21.7 -0.6 87.7 59.7 110 110 A T E -be 27 234A 0 -84,-2.0 -82,-2.6 123,-0.2 2,-0.4 -0.973 57.8-166.5-127.4 139.0 2.3 89.9 60.6 111 111 A L E -be 28 235A 0 123,-2.8 125,-2.3 -2,-0.4 2,-0.5 -0.983 3.2-163.9-126.0 129.2 4.9 89.6 63.3 112 112 A V E -be 29 236A 5 -84,-2.6 -82,-2.5 -2,-0.4 2,-0.4 -0.958 10.4-167.4-112.6 121.9 7.3 92.3 64.5 113 113 A V E +be 30 237A 0 123,-2.5 125,-1.7 -2,-0.5 2,-0.3 -0.918 7.5 178.3-111.3 137.1 10.3 91.1 66.4 114 114 A T E + e 0 238A 0 -84,-1.5 2,-0.3 -2,-0.4 125,-0.2 -0.952 5.8 160.9-133.7 154.6 12.6 93.4 68.4 115 115 A N E - 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0 0 31 23,-1.9 -2,-0.0 -2,-0.4 -58,-0.0 -0.880 41.2-104.6-135.8 165.8 24.4 82.5 69.8 196 196 A G + 0 0 22 -2,-0.3 -108,-0.5 1,-0.1 23,-0.1 0.824 61.0 147.9 -65.2 -42.2 23.2 80.7 73.0 197 197 A G + 0 0 31 1,-0.1 -1,-0.1 -110,-0.1 3,-0.1 -0.302 47.7 166.0 80.5-164.4 24.5 82.7 75.9 198 198 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 21,-0.0 -0.999 82.2 65.6 -85.7 -6.2 24.1 83.7 78.7 199 199 A N S S- 0 0 106 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.352 87.1-110.7 -73.2 156.5 27.7 84.8 79.0 200 200 A F - 0 0 83 55,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.563 41.9 -91.0 -84.9 156.8 29.0 87.7 76.9 201 201 A E - 0 0 37 -2,-0.2 2,-0.2 1,-0.1 54,-0.2 -0.100 30.8-124.2 -68.5 160.0 31.6 87.1 74.1 202 202 A T > - 0 0 74 1,-0.1 4,-2.0 45,-0.0 5,-0.2 -0.519 32.9-103.3 -95.4 167.8 35.3 87.2 74.4 203 203 A V H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.937 122.4 51.4 -57.3 -45.8 37.4 89.5 72.2 204 204 A A H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 109.8 49.1 -60.7 -39.3 38.4 86.5 70.0 205 205 A E H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 109.4 52.3 -68.7 -37.7 34.8 85.4 69.5 206 206 A C H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.848 106.9 53.3 -66.4 -35.5 33.7 89.0 68.6 207 207 A R H X S+ 0 0 116 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.888 111.7 44.1 -69.1 -38.8 36.4 89.2 65.9 208 208 A L H X S+ 0 0 92 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.901 110.3 55.4 -73.0 -36.6 35.3 86.0 64.2 209 209 A L H <>S+ 0 0 8 -4,-2.2 5,-1.9 1,-0.2 -2,-0.2 0.921 112.2 43.9 -58.8 -44.4 31.7 87.0 64.4 210 210 A R H ><5S+ 0 0 73 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.886 111.4 53.2 -67.5 -41.6 32.5 90.2 62.6 211 211 A N H 3<5S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 101.4 60.9 -64.5 -29.2 34.7 88.4 60.1 212 212 A L T 3<5S- 0 0 102 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.459 126.5-102.9 -75.6 -2.6 31.8 86.0 59.4 213 213 A G T < 5S+ 0 0 37 -3,-1.6 -22,-0.3 1,-0.3 -3,-0.2 0.500 71.2 145.9 96.6 4.9 29.9 89.1 58.3 214 214 A A < - 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 -22,-0.2 -0.480 30.0-171.0 -78.8 147.5 27.6 89.8 61.3 215 215 A D S S+ 0 0 16 -24,-2.9 -95,-3.3 1,-0.3 -94,-2.2 0.728 72.7 20.6-103.5 -34.0 26.7 93.3 62.2 216 216 A A E -Fj 119 192A 0 -25,-1.8 -23,-2.6 -97,-0.2 2,-0.4 -0.986 65.8-148.8-139.6 149.7 25.0 92.6 65.6 217 217 A V E +Fj 118 193A 4 -99,-2.0 -99,-2.5 -2,-0.3 2,-0.3 -0.925 25.5 149.7-122.3 142.2 25.0 89.8 68.1 218 218 A G E - j 0 194A 9 -25,-2.1 -23,-1.9 -2,-0.4 -101,-0.1 -0.946 46.6-119.0-157.3 177.9 22.3 88.6 70.4 219 219 A M S S+ 0 0 31 -2,-0.3 -132,-0.4 -103,-0.3 -131,-0.3 -0.008 84.6 23.4-117.6 29.9 20.8 85.6 72.2 220 220 A S S S+ 0 0 11 -134,-0.1 2,-2.2 -133,-0.1 -2,-0.1 -0.823 74.2 71.4-162.9-163.6 17.3 85.4 70.7 221 221 A T S > S+ 0 0 0 -2,-0.2 4,-2.0 1,-0.2 3,-0.4 -0.227 79.8 86.3 72.5 -48.0 14.8 86.2 67.9 222 222 A V H > S+ 0 0 0 -2,-2.2 4,-2.1 1,-0.2 5,-0.2 0.892 87.5 50.0 -53.8 -48.1 16.1 83.8 65.2 223 223 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.885 111.2 51.2 -61.1 -32.3 14.1 80.7 66.4 224 224 A E H > S+ 0 0 3 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.885 109.0 49.9 -69.7 -38.3 10.9 82.8 66.4 225 225 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.865 109.7 52.1 -67.4 -38.1 11.6 84.1 62.8 226 226 A I H X S+ 0 0 8 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.960 113.2 42.2 -64.4 -50.4 12.2 80.5 61.6 227 227 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.863 114.1 53.1 -65.0 -36.4 8.9 79.2 63.0 228 228 A A H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 4,-0.3 0.930 111.0 45.1 -64.3 -48.1 7.0 82.4 61.8 229 229 A R H ><5S+ 0 0 59 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.855 107.4 61.1 -65.3 -31.7 8.2 82.0 58.3 230 230 A H H 3<5S+ 0 0 10 -4,-2.0 -73,-0.4 1,-0.3 -1,-0.2 0.888 109.7 39.7 -62.4 -41.3 7.4 78.3 58.4 231 231 A C T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.293 124.7 -97.5 -93.6 8.6 3.7 78.9 59.0 232 232 A G T < 5 + 0 0 41 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.671 66.3 153.7 89.8 19.1 3.5 81.9 56.6 233 233 A L < - 0 0 0 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.619 46.8-123.6 -83.4 137.9 3.8 84.9 58.8 234 234 A R E -e 110 0A 88 -125,-2.5 -123,-2.8 -2,-0.3 2,-0.4 -0.693 37.0-151.7 -77.1 125.5 5.1 88.2 57.3 235 235 A V E +ei 111 166A 0 -70,-0.5 -68,-2.3 -2,-0.4 2,-0.3 -0.897 25.7 166.4-112.8 138.0 8.1 89.0 59.5 236 236 A F E +e 112 0A 9 -125,-2.3 -123,-2.5 -2,-0.4 2,-0.3 -0.991 14.6 158.5-140.5 139.9 9.8 92.4 60.3 237 237 A G E -e 113 0A 0 -2,-0.3 -105,-2.3 -105,-0.3 2,-0.3 -0.988 18.1-168.0-158.9 166.5 12.3 93.1 63.0 238 238 A F E -eG 114 131A 1 -125,-1.7 -123,-1.4 -2,-0.3 2,-0.4 -0.990 16.8-131.5-157.2 155.5 15.0 95.3 64.4 239 239 A S E -eG 115 130A 0 -109,-2.6 -109,-2.6 -2,-0.3 2,-0.7 -0.884 13.6-138.3-112.3 140.8 17.7 95.4 67.1 240 240 A L E -eG 116 129A 0 -125,-2.8 -123,-2.4 -2,-0.4 2,-1.2 -0.901 24.9-132.8 -94.7 116.9 18.4 98.2 69.5 241 241 A I E +e 117 0A 0 -113,-3.1 -114,-2.7 -2,-0.7 -113,-0.3 -0.660 33.2 174.0 -73.9 99.2 22.2 98.5 69.6 242 242 A T E - 0 0 4 -125,-2.0 2,-0.3 -2,-1.2 21,-0.2 0.589 60.0 -4.6 -85.3 -13.0 22.6 98.6 73.4 243 243 A N E -e 118 0A 8 -126,-0.8 -124,-3.0 -118,-0.1 2,-0.5 -0.968 66.7-111.5-172.3 159.4 26.4 98.5 73.5 244 244 A K E -e 119 0A 97 -2,-0.3 -124,-0.1 -126,-0.2 2,-0.1 -0.908 42.7-115.3-103.4 130.4 29.5 98.2 71.3 245 245 A V - 0 0 18 -126,-2.1 2,-0.5 -2,-0.5 9,-0.0 -0.419 24.2-111.7 -71.2 140.0 31.5 95.0 71.8 246 246 A I + 0 0 38 -45,-0.1 -40,-0.2 -2,-0.1 -1,-0.1 -0.567 42.0 168.0 -69.0 117.5 35.0 95.0 73.2 247 247 A M + 0 0 50 -2,-0.5 2,-0.3 -41,-0.1 -1,-0.1 0.194 51.0 65.1-121.8 19.3 37.3 93.9 70.3 248 248 A D S S- 0 0 55 1,-0.1 4,-0.1 -41,-0.0 -45,-0.0 -0.993 78.4-124.9-140.5 142.3 40.8 94.7 71.6 249 249 A T S S+ 0 0 104 -2,-0.3 2,-1.6 1,-0.3 -1,-0.1 0.688 104.0 77.1 -60.3 -19.3 42.7 93.1 74.4 250 250 A E S S- 0 0 154 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.1 -0.350 83.1-167.2 -86.1 53.1 43.2 96.6 75.9 251 251 A S - 0 0 53 -2,-1.6 -2,-0.1 1,-0.2 3,-0.1 -0.232 23.1-154.4 -48.9 116.1 39.6 96.3 77.0 252 252 A Q S S- 0 0 147 -4,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.697 74.0 -54.6 -66.0 -17.4 38.4 99.7 78.2 253 253 A G - 0 0 26 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 -0.889 69.5 -82.3 174.9-143.8 36.0 97.6 80.3 254 254 A K - 0 0 152 -2,-0.3 -9,-0.0 -3,-0.1 0, 0.0 -0.983 40.1 -91.6-158.0 140.1 33.5 94.8 79.7 255 255 A A - 0 0 27 -2,-0.3 2,-0.3 -54,-0.2 -55,-0.1 -0.244 48.3-177.1 -49.6 133.0 29.9 94.4 78.5 256 256 A N > - 0 0 61 1,-0.1 4,-1.4 -56,-0.0 3,-0.2 -0.965 36.0-120.6-137.5 153.0 27.6 94.4 81.5 257 257 A H H > S+ 0 0 108 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.790 109.7 58.2 -63.6 -33.4 23.8 94.0 81.9 258 258 A E H > S+ 0 0 144 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 102.7 56.4 -65.6 -37.1 23.2 97.4 83.6 259 259 A E H > S+ 0 0 71 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.945 108.8 45.1 -57.6 -50.7 24.7 99.0 80.5 260 260 A V H X S+ 0 0 21 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.860 111.3 53.2 -64.8 -34.7 22.2 97.3 78.2 261 261 A L H X S+ 0 0 95 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.913 107.4 51.5 -67.1 -41.3 19.3 98.1 80.5 262 262 A E H X S+ 0 0 105 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.912 109.3 50.1 -59.8 -45.4 20.2 101.8 80.6 263 263 A A H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.938 108.1 52.4 -60.2 -47.3 20.3 101.9 76.8 264 264 A G H X S+ 0 0 7 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.866 112.3 48.0 -57.0 -34.7 16.9 100.3 76.5 265 265 A K H >< S+ 0 0 135 -4,-1.8 3,-0.6 1,-0.2 4,-0.4 0.939 110.2 49.3 -71.2 -48.6 15.6 103.0 78.9 266 266 A Q H 3< S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.733 117.4 39.9 -65.5 -26.6 17.2 105.9 77.1 267 267 A A H >X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.2 3,-0.6 0.516 84.9 103.3-101.8 -4.4 15.8 104.9 73.6 268 268 A A H S+ 0 0 141 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.867 112.3 49.1 -57.6 -40.0 10.5 106.8 73.6 270 270 A K H <> S+ 0 0 48 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.865 112.5 47.2 -69.6 -39.7 12.1 106.7 70.2 271 271 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.898 111.0 52.8 -68.8 -41.8 11.4 103.0 69.7 272 272 A E H X S+ 0 0 34 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.931 110.8 43.5 -61.8 -49.8 7.8 103.4 70.8 273 273 A Q H X S+ 0 0 93 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.862 113.8 54.3 -66.2 -31.2 6.8 106.2 68.4 274 274 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.963 111.5 41.8 -65.7 -52.4 8.7 104.4 65.6 275 275 A V H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.871 113.6 55.3 -63.7 -34.9 6.7 101.1 66.1 276 276 A S H X S+ 0 0 11 -4,-2.4 4,-0.7 -5,-0.2 3,-0.4 0.934 108.9 45.9 -64.3 -43.9 3.5 103.1 66.5 277 277 A L H >< S+ 0 0 70 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.886 107.3 58.8 -66.5 -37.2 4.0 104.9 63.2 278 278 A L H >< S+ 0 0 11 -4,-2.1 3,-1.8 1,-0.2 4,-0.5 0.794 92.2 68.6 -61.9 -31.2 4.8 101.6 61.5 279 279 A M H >< S+ 0 0 1 -4,-1.3 3,-1.2 -3,-0.4 -1,-0.2 0.895 93.2 59.2 -55.1 -39.6 1.4 100.2 62.5 280 280 A A T << S+ 0 0 64 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.623 109.3 43.6 -66.8 -12.2 -0.1 102.7 60.1 281 281 A S T < 0 0 46 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.382 360.0 360.0-116.0 4.7 1.8 101.2 57.2 282 282 A I < 0 0 52 -3,-1.2 -172,-0.0 -4,-0.5 -255,-0.0 -0.539 360.0 360.0 -73.1 360.0 1.5 97.4 57.7