==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHORYLASE 30-MAR-98 4PNP . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.J.PUGMIRE,C.MAO,S.E.EALICK . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.7 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 0.4 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 23.9 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 1 0 2 1 0 1 1 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 0 190 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.9 13.1 64.9 72.4 2 2 A A - 0 0 39 1,-0.2 147,-0.1 2,-0.1 145,-0.0 -0.082 360.0 -35.6 -67.0-179.5 11.8 66.0 68.9 3 3 A N - 0 0 42 145,-0.9 -1,-0.2 1,-0.2 92,-0.0 -0.100 57.5-173.1 -44.2 122.4 8.7 68.2 68.7 4 4 A G + 0 0 34 -3,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.642 53.8 96.1 -94.1 -19.6 6.4 67.0 71.5 5 5 A Y - 0 0 30 89,-0.1 2,-0.1 4,-0.0 -2,-0.0 -0.573 62.6-149.3 -77.1 131.1 3.4 69.1 70.5 6 6 A T > - 0 0 67 -2,-0.3 4,-1.3 1,-0.1 3,-0.5 -0.435 33.7-102.7 -87.5 169.4 0.7 67.5 68.3 7 7 A Y H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.923 124.0 57.3 -58.7 -40.7 -1.3 69.6 65.9 8 8 A E H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.811 97.1 60.6 -59.8 -35.9 -4.2 69.4 68.4 9 9 A D H > S+ 0 0 42 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.930 108.3 44.1 -58.9 -44.3 -2.0 70.9 71.2 10 10 A Y H X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.929 114.0 51.2 -64.8 -44.6 -1.6 74.0 69.0 11 11 A Q H X S+ 0 0 64 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.885 107.1 52.7 -59.2 -44.0 -5.3 74.0 68.2 12 12 A D H X S+ 0 0 91 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.920 111.0 46.3 -59.5 -47.2 -6.4 73.7 71.8 13 13 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.903 112.1 51.6 -63.2 -41.0 -4.3 76.7 72.8 14 14 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.932 111.5 46.3 -61.7 -46.4 -5.6 78.7 69.8 15 15 A K H X S+ 0 0 120 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.871 109.9 54.6 -63.9 -40.2 -9.3 77.9 70.7 16 16 A W H < S+ 0 0 60 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.945 111.2 45.1 -59.6 -47.3 -8.6 78.8 74.3 17 17 A L H >X S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 4,-0.8 0.942 111.0 52.5 -62.9 -45.5 -7.3 82.2 73.3 18 18 A L H 3< S+ 0 0 43 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.817 109.6 50.3 -61.5 -30.6 -10.1 82.8 70.8 19 19 A S T 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.450 110.8 49.3 -87.5 -1.8 -12.7 82.1 73.5 20 20 A H T <4 S+ 0 0 85 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.448 114.0 38.1-113.8 -3.3 -11.0 84.5 76.0 21 21 A T < - 0 0 8 -4,-0.8 -1,-0.2 -3,-0.3 25,-0.0 -0.984 57.7-151.1-145.6 147.1 -10.7 87.6 73.8 22 22 A E S S+ 0 0 121 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.594 70.8 105.8 -90.0 -17.3 -12.9 89.1 71.2 23 23 A Q - 0 0 11 1,-0.1 -2,-0.1 55,-0.0 49,-0.0 -0.348 51.1-168.0 -66.2 144.2 -9.9 90.6 69.5 24 24 A R - 0 0 122 83,-0.0 53,-0.2 -2,-0.0 -1,-0.1 -0.739 12.5-167.6-135.8 80.2 -8.7 88.9 66.2 25 25 A P - 0 0 5 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.345 20.2-167.4 -70.6 148.6 -5.2 90.2 65.3 26 26 A Q S S+ 0 0 64 51,-1.2 83,-2.5 82,-0.2 84,-2.2 0.401 76.7 61.5-111.1 -4.6 -3.6 89.6 61.9 27 27 A V E -ab 78 110A 0 50,-0.8 52,-1.8 81,-0.2 2,-0.4 -0.969 63.3-166.4-126.0 138.2 -0.3 90.7 63.2 28 28 A A E -ab 79 111A 0 82,-2.3 84,-2.9 -2,-0.4 2,-0.4 -0.946 4.9-163.7-121.7 142.6 1.9 89.2 66.0 29 29 A V E -ab 80 112A 0 50,-2.4 52,-3.3 -2,-0.4 2,-0.6 -0.995 6.5-157.5-131.3 126.0 4.9 91.0 67.5 30 30 A I E -ab 81 113A 1 82,-2.6 84,-1.5 -2,-0.4 2,-0.6 -0.931 13.8-152.7-104.4 115.9 7.6 89.3 69.6 31 31 A C E -a 82 0A 0 50,-2.8 52,-1.0 -2,-0.6 3,-0.1 -0.812 12.3-159.7 -92.7 121.2 9.4 91.8 71.9 32 32 A G > - 0 0 1 -2,-0.6 3,-1.9 1,-0.2 4,-0.2 0.121 46.6 -29.3 -81.5-161.2 13.0 90.9 72.8 33 33 A S T 3 S- 0 0 13 1,-0.3 -1,-0.2 2,-0.1 30,-0.1 -0.269 130.7 -0.6 -58.0 130.6 15.2 92.0 75.6 34 34 A G T 3 S+ 0 0 4 29,-0.5 -1,-0.3 -3,-0.1 3,-0.2 0.618 109.6 96.9 64.9 16.1 14.4 95.6 76.9 35 35 A L X + 0 0 3 -3,-1.9 3,-1.8 28,-0.3 4,-0.2 0.276 40.4 108.9-117.3 11.6 11.7 96.0 74.3 36 36 A G G > + 0 0 14 27,-0.4 3,-1.0 1,-0.3 4,-0.2 0.611 61.5 79.9 -64.5 -10.9 8.7 95.1 76.5 37 37 A G G > + 0 0 20 1,-0.2 3,-1.7 -3,-0.2 4,-0.3 0.632 67.3 85.6 -72.9 -12.5 7.6 98.7 76.4 38 38 A L G X S+ 0 0 3 -3,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.818 79.8 63.9 -59.0 -28.9 6.0 98.3 73.0 39 39 A V G X S+ 0 0 15 -3,-1.0 3,-2.2 1,-0.2 -1,-0.3 0.782 83.9 79.3 -66.2 -23.4 2.8 97.1 74.6 40 40 A N G < S+ 0 0 124 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 87.6 55.3 -56.0 -28.5 2.5 100.5 76.2 41 41 A K G < S+ 0 0 102 -3,-1.3 33,-0.3 -4,-0.3 -1,-0.3 0.535 85.3 111.1 -83.1 -8.2 1.1 102.0 73.0 42 42 A L < - 0 0 16 -3,-2.2 3,-0.4 -4,-0.2 2,-0.3 -0.483 50.6-162.4 -72.9 131.3 -1.7 99.4 72.9 43 43 A T E S+C 72 0A 87 29,-2.2 29,-3.0 -2,-0.2 3,-0.1 -0.735 76.0 25.3-107.6 157.9 -5.3 100.5 73.4 44 44 A Q E S- 0 0 126 -2,-0.3 2,-0.2 27,-0.2 -1,-0.2 0.865 91.8-178.6 57.9 35.7 -8.1 98.1 74.3 45 45 A A E - 0 0 55 -3,-0.4 2,-0.4 26,-0.1 26,-0.2 -0.481 19.5-172.5 -75.1 133.0 -5.3 95.9 75.7 46 46 A Q E -C 70 0A 56 24,-2.6 24,-3.1 -2,-0.2 2,-0.4 -0.997 11.8-155.8-125.6 126.1 -6.0 92.5 77.2 47 47 A T E -C 69 0A 58 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.824 13.3-175.1-110.3 141.1 -3.2 90.6 78.9 48 48 A F E -C 68 0A 6 20,-2.3 20,-3.2 -2,-0.4 2,-0.2 -0.999 25.8-130.6-129.0 129.1 -2.7 86.9 79.6 49 49 A D E >> -C 67 0A 66 -2,-0.4 3,-2.3 18,-0.2 4,-1.0 -0.619 25.5-119.3 -76.3 144.5 0.2 85.7 81.6 50 50 A Y G >4 S+ 0 0 4 16,-2.5 3,-0.6 1,-0.3 6,-0.3 0.864 114.5 61.6 -52.2 -34.6 2.0 82.9 79.8 51 51 A S G 34 S+ 0 0 107 15,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.635 99.8 54.7 -67.5 -16.4 1.2 80.6 82.8 52 52 A E G <4 S+ 0 0 94 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.753 90.9 85.4 -82.7 -34.8 -2.5 81.1 82.1 53 53 A I S X< S- 0 0 5 -4,-1.0 3,-1.9 -3,-0.6 -40,-0.1 -0.633 89.5-116.1 -75.3 117.5 -2.3 80.0 78.5 54 54 A P T 3 S+ 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.254 96.3 6.0 -55.0 131.0 -2.5 76.2 78.2 55 55 A N T 3 S+ 0 0 66 1,-0.2 43,-0.1 -4,-0.1 -4,-0.1 0.250 93.7 137.0 79.4 -9.1 0.7 74.7 76.8 56 56 A F < - 0 0 20 -3,-1.9 -1,-0.2 -6,-0.3 39,-0.0 -0.472 48.8-132.2 -73.8 134.2 2.6 78.0 76.8 57 57 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.140 27.0-103.8 -72.4-177.8 6.3 78.0 78.1 58 58 A E - 0 0 126 -7,-0.1 2,-0.6 -8,-0.1 8,-0.1 -0.909 13.9-131.2-118.5 134.6 7.6 80.5 80.7 59 59 A S + 0 0 15 -2,-0.4 26,-0.1 1,-0.2 5,-0.1 -0.703 31.6 168.0 -78.8 118.5 9.8 83.6 80.2 60 60 A T + 0 0 86 -2,-0.6 -1,-0.2 24,-0.2 25,-0.1 0.584 42.9 99.7-106.7 -12.9 12.5 83.2 82.8 61 61 A V S > S- 0 0 15 23,-0.3 3,-1.4 1,-0.1 23,-0.1 -0.527 80.8-107.8 -80.5 135.9 14.9 85.9 81.6 62 62 A P T 3 S+ 0 0 88 0, 0.0 -28,-0.1 0, 0.0 -1,-0.1 -0.340 107.0 32.0 -59.9 134.8 14.9 89.4 83.2 63 63 A G T 3 S+ 0 0 39 -30,-0.1 2,-0.5 1,-0.1 -29,-0.5 0.518 94.7 102.4 93.6 3.5 13.3 92.0 81.0 64 64 A H < - 0 0 10 -3,-1.4 19,-0.2 1,-0.1 -1,-0.1 -0.834 55.1-167.4-121.3 88.7 11.0 89.5 79.6 65 65 A A - 0 0 58 -2,-0.5 18,-0.2 1,-0.1 -1,-0.1 0.738 26.8-134.9 -47.2 -34.7 7.6 90.1 81.3 66 66 A G + 0 0 10 16,-2.1 -16,-2.5 1,-0.3 2,-0.4 0.903 56.9 129.5 76.7 43.4 6.1 86.8 80.1 67 67 A R E -CD 49 82A 120 15,-1.6 15,-3.0 -18,-0.2 2,-0.6 -0.963 52.3-143.1-131.5 144.5 2.7 88.2 79.0 68 68 A L E -CD 48 81A 0 -20,-3.2 -20,-2.3 -2,-0.4 2,-0.5 -0.959 27.2-165.1-105.0 119.6 0.7 87.8 75.8 69 69 A V E -CD 47 80A 4 11,-2.8 11,-3.0 -2,-0.6 2,-0.4 -0.943 11.0-163.6-116.4 124.2 -1.0 91.1 75.1 70 70 A F E +CD 46 79A 2 -24,-3.1 -24,-2.6 -2,-0.5 2,-0.3 -0.803 36.0 114.2 -98.9 142.9 -3.9 91.7 72.7 71 71 A G E - D 0 78A 0 7,-2.2 7,-3.4 -2,-0.4 2,-0.5 -0.987 62.4 -73.5 175.1 179.8 -4.7 95.3 71.7 72 72 A I E -CD 43 77A 35 -29,-3.0 -29,-2.2 -2,-0.3 2,-0.5 -0.874 34.7-174.3-103.1 127.3 -4.8 98.0 69.0 73 73 A L E > S- D 0 76A 0 3,-3.2 3,-1.7 -2,-0.5 -31,-0.1 -0.978 76.7 -20.6-122.7 112.5 -1.6 99.5 67.8 74 74 A N T 3 S- 0 0 81 -2,-0.5 -1,-0.2 -33,-0.3 3,-0.1 0.940 129.2 -49.6 54.4 50.8 -2.0 102.5 65.4 75 75 A G T 3 S+ 0 0 76 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.492 119.0 112.2 69.3 5.0 -5.5 101.4 64.6 76 76 A R E < - D 0 73A 39 -3,-1.7 -3,-3.2 200,-0.1 2,-0.3 -0.937 68.6-125.7-116.7 127.3 -4.4 97.8 63.9 77 77 A A E + D 0 72A 26 -2,-0.5 -51,-1.2 -5,-0.2 -50,-0.8 -0.526 42.2 168.1 -70.4 129.8 -5.3 94.8 66.1 78 78 A C E -aD 27 71A 0 -7,-3.4 -7,-2.2 -2,-0.3 2,-0.4 -0.920 35.0-141.0-143.9 162.0 -2.3 92.9 67.3 79 79 A V E -aD 28 70A 0 -52,-1.8 -50,-2.4 -2,-0.3 2,-0.4 -0.997 25.3-162.5-124.7 125.8 -1.0 90.3 69.7 80 80 A M E -aD 29 69A 0 -11,-3.0 -11,-2.8 -2,-0.4 2,-0.9 -0.935 19.6-144.1-117.2 138.6 2.3 90.9 71.4 81 81 A M E -aD 30 68A 2 -52,-3.3 -50,-2.8 -2,-0.4 2,-1.8 -0.865 16.0-159.5 -94.4 99.4 4.7 88.6 73.1 82 82 A Q E S+aD 31 67A 28 -15,-3.0 -16,-2.1 -2,-0.9 -15,-1.6 -0.707 76.5 1.0 -82.5 85.6 6.0 90.8 75.9 83 83 A G S S- 0 0 2 -2,-1.8 2,-0.2 -52,-1.0 -52,-0.2 -0.095 78.8-143.1 109.8 150.8 9.0 88.6 76.4 84 84 A R - 0 0 1 -54,-0.1 2,-0.3 -2,-0.1 -23,-0.3 -0.712 17.0-100.3-134.2-173.2 10.1 85.5 74.5 85 85 A F - 0 0 0 11,-0.4 2,-0.3 -2,-0.2 -26,-0.1 -0.840 29.3-158.5-115.8 150.7 11.8 82.1 75.2 86 86 A H > > - 0 0 10 -2,-0.3 3,-1.7 1,-0.1 5,-0.9 -0.968 27.5-126.4-132.7 149.8 15.4 81.1 74.5 87 87 A M G > 5S+ 0 0 39 132,-0.4 3,-2.7 -2,-0.3 4,-0.3 0.885 109.0 64.1 -57.8 -39.5 17.3 77.9 73.9 88 88 A Y G 3 5S+ 0 0 58 108,-0.5 -1,-0.3 131,-0.3 109,-0.1 0.636 89.3 68.2 -62.9 -12.5 19.7 78.9 76.7 89 89 A E G < 5S- 0 0 39 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.599 127.7 -98.0 -79.8 -11.5 16.8 78.7 79.2 90 90 A G T < 5S+ 0 0 64 -3,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.444 81.8 138.1 106.0 6.3 16.8 75.0 78.5 91 91 A Y < - 0 0 40 -5,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 -0.694 51.1-133.4 -88.7 130.2 14.0 75.1 76.0 92 92 A P >> - 0 0 45 0, 0.0 4,-2.1 0, 0.0 3,-1.9 -0.460 33.2-106.2 -73.6 158.5 14.1 73.0 72.9 93 93 A F H 3> S+ 0 0 6 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.822 118.3 63.9 -58.3 -30.1 13.2 75.0 69.8 94 94 A W H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 -89,-0.1 0.677 110.2 40.0 -68.0 -16.5 9.8 73.3 69.4 95 95 A K H X4 S+ 0 0 74 -3,-1.9 3,-1.1 2,-0.1 -2,-0.2 0.791 112.7 53.9 -94.3 -40.6 8.9 74.9 72.8 96 96 A V H 3< S+ 0 0 3 -4,-2.1 -11,-0.4 1,-0.2 -2,-0.2 0.865 115.9 41.1 -59.4 -37.0 10.6 78.2 72.0 97 97 A T T >X S+ 0 0 2 -4,-2.6 4,-1.0 -5,-0.2 3,-0.8 0.362 81.5 108.1 -95.0 4.1 8.6 78.5 68.8 98 98 A F H <> S+ 0 0 0 -3,-1.1 4,-1.5 1,-0.2 3,-0.5 0.873 75.6 54.8 -49.7 -47.9 5.2 77.2 70.2 99 99 A P H 3> S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.835 98.1 63.5 -58.0 -36.6 3.5 80.6 70.1 100 100 A V H <> S+ 0 0 1 -3,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.912 106.6 42.3 -57.3 -45.3 4.2 81.2 66.4 101 101 A R H X S+ 0 0 11 -4,-1.0 4,-2.2 -3,-0.5 -1,-0.2 0.854 112.4 54.3 -70.5 -33.5 2.1 78.2 65.3 102 102 A V H < S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.941 106.9 52.2 -63.6 -43.4 -0.6 79.2 67.7 103 103 A F H >X>S+ 0 0 0 -4,-3.0 5,-2.2 1,-0.2 3,-1.4 0.911 107.0 52.5 -58.1 -44.3 -0.6 82.6 66.2 104 104 A R H ><5S+ 0 0 86 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.939 108.5 50.3 -57.7 -44.8 -1.0 81.0 62.7 105 105 A L T 3<5S+ 0 0 44 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.501 104.3 60.0 -72.5 -4.2 -4.0 79.1 64.1 106 106 A L T <45S- 0 0 16 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.505 126.6 -97.1 -96.2 -12.1 -5.5 82.3 65.4 107 107 A G T <<5S+ 0 0 40 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.437 71.8 153.2 108.5 2.3 -5.7 83.8 62.0 108 108 A V < + 0 0 0 -5,-2.2 -1,-0.3 -6,-0.2 -81,-0.2 -0.409 17.5 175.3 -66.4 139.7 -2.4 85.8 62.2 109 109 A E + 0 0 69 -83,-2.5 125,-2.8 1,-0.2 2,-0.4 0.610 60.3 49.2-118.7 -23.9 -0.7 86.4 58.8 110 110 A T E -be 27 234A 1 -84,-2.2 -82,-2.3 123,-0.2 2,-0.4 -0.963 59.8-162.9-125.9 139.9 2.3 88.6 59.7 111 111 A L E -be 28 235A 0 123,-3.1 125,-1.8 -2,-0.4 2,-0.5 -0.984 0.7-165.4-124.8 125.7 5.0 88.2 62.3 112 112 A V E -be 29 236A 2 -84,-2.9 -82,-2.6 -2,-0.4 2,-0.4 -0.938 11.1-166.5-109.3 123.3 7.2 91.0 63.5 113 113 A V E +be 30 237A 0 123,-1.9 125,-1.8 -2,-0.5 2,-0.3 -0.925 7.5 179.2-114.3 140.0 10.3 89.9 65.5 114 114 A T E + e 0 238A 2 -84,-1.5 2,-0.3 -2,-0.4 125,-0.2 -0.957 5.7 163.4-134.8 154.7 12.5 92.2 67.5 115 115 A N E - 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0 0 27 23,-2.1 -58,-0.0 -2,-0.4 -2,-0.0 -0.877 39.4-108.4-132.2 165.9 24.2 81.3 68.6 196 196 A G + 0 0 23 -2,-0.3 -108,-0.5 1,-0.1 -1,-0.1 0.900 60.4 148.2 -66.6 -46.9 23.1 79.4 71.7 197 197 A G + 0 0 29 1,-0.1 -1,-0.1 -110,-0.1 3,-0.1 -0.343 46.3 164.2 79.8-164.2 24.4 81.4 74.6 198 198 A P S S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.998 81.8 65.8 -84.0 -6.3 24.0 82.3 77.5 199 199 A N S S- 0 0 100 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.392 88.6-110.7 -72.5 156.1 27.6 83.4 77.8 200 200 A F - 0 0 80 55,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.535 43.8 -86.5 -84.8 156.7 28.8 86.4 75.8 201 201 A E - 0 0 32 -2,-0.2 54,-0.2 1,-0.1 45,-0.2 -0.149 31.7-126.2 -66.6 151.9 31.3 85.9 72.9 202 202 A T > - 0 0 69 1,-0.1 4,-2.3 43,-0.0 5,-0.1 -0.406 32.4-105.7 -85.4 169.9 35.0 85.8 73.1 203 203 A V H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 122.0 50.8 -63.7 -44.0 37.1 88.1 70.9 204 204 A A H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 110.3 49.4 -60.4 -43.2 38.1 85.2 68.6 205 205 A E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 110.0 51.5 -63.7 -42.5 34.5 84.1 68.3 206 206 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.949 109.2 48.9 -60.1 -48.1 33.4 87.7 67.4 207 207 A R H X S+ 0 0 117 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.901 112.6 49.9 -56.8 -42.9 36.1 88.0 64.7 208 208 A L H X S+ 0 0 95 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.929 110.0 49.8 -60.6 -49.3 34.9 84.7 63.3 209 209 A L H <>S+ 0 0 5 -4,-2.7 5,-1.7 2,-0.2 -2,-0.2 0.866 111.6 47.4 -60.8 -41.2 31.3 85.7 63.3 210 210 A R H ><5S+ 0 0 69 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.936 110.2 53.6 -66.2 -44.0 31.9 89.0 61.5 211 211 A N H 3<5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 99.0 63.3 -62.2 -24.5 34.1 87.1 58.9 212 212 A L T 3<5S- 0 0 88 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.507 127.6-100.6 -76.4 -6.7 31.2 84.7 58.3 213 213 A G T < 5S+ 0 0 38 -3,-2.2 2,-0.3 1,-0.3 -22,-0.3 0.647 72.7 148.8 96.2 17.7 29.3 87.8 57.0 214 214 A A < - 0 0 0 -5,-1.7 -1,-0.3 1,-0.1 -22,-0.2 -0.653 30.3-172.3 -87.9 142.1 27.2 88.6 60.1 215 215 A D S S+ 0 0 15 -24,-2.7 -95,-2.9 1,-0.3 -94,-2.0 0.738 74.5 15.0-100.7 -30.6 26.2 92.1 61.0 216 216 A A E -Fi 119 192A 0 -25,-1.8 -23,-2.9 -97,-0.2 2,-0.4 -0.980 67.0-148.1-144.7 152.1 24.7 91.4 64.4 217 217 A V E +Fi 118 193A 5 -99,-2.2 -99,-2.5 -2,-0.3 2,-0.3 -0.968 26.2 145.1-127.4 139.0 24.7 88.5 66.9 218 218 A G E - i 0 194A 8 -25,-2.1 -23,-2.1 -2,-0.4 -101,-0.1 -0.924 48.9-114.6-155.6-177.6 22.1 87.3 69.3 219 219 A M S S+ 0 0 25 -2,-0.3 -132,-0.4 -25,-0.2 -131,-0.3 -0.033 86.5 30.4-119.0 30.8 20.6 84.2 71.0 220 220 A S S S+ 0 0 8 -134,-0.1 2,-2.7 -133,-0.1 -2,-0.1 -0.672 75.1 65.6-156.2-159.3 17.1 84.2 69.6 221 221 A T S >> S+ 0 0 0 1,-0.2 4,-2.1 -2,-0.2 3,-0.7 -0.242 80.9 83.4 68.2 -60.5 14.7 85.0 66.7 222 222 A V H 3> S+ 0 0 0 -2,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.849 89.6 51.8 -44.7 -47.8 15.9 82.7 64.0 223 223 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.895 110.4 49.5 -61.5 -35.6 14.0 79.7 65.2 224 224 A E H <> S+ 0 0 2 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.910 110.2 50.9 -67.7 -41.0 10.7 81.7 65.3 225 225 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.915 109.6 49.9 -63.5 -43.1 11.4 83.0 61.8 226 226 A I H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.925 114.0 44.8 -61.7 -44.7 12.0 79.4 60.4 227 227 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.889 112.8 51.9 -67.5 -38.7 8.7 78.2 62.0 228 228 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 3,-0.3 0.953 111.7 45.5 -61.3 -51.1 6.8 81.3 60.8 229 229 A R H ><5S+ 0 0 61 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.874 108.0 58.5 -61.8 -36.3 8.0 80.8 57.2 230 230 A H H 3<5S+ 0 0 8 -4,-2.1 -73,-0.3 1,-0.3 -1,-0.2 0.883 110.7 42.0 -61.8 -39.3 7.2 77.1 57.4 231 231 A C T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.281 123.6-101.7 -93.9 12.4 3.6 77.9 58.2 232 232 A G T < 5 + 0 0 42 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.581 65.5 153.5 85.4 12.7 3.3 80.7 55.7 233 233 A L < - 0 0 0 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.503 47.2-121.8 -78.6 141.6 3.6 83.8 57.8 234 234 A R E -e 110 0A 64 -125,-2.8 -123,-3.1 -2,-0.2 2,-0.4 -0.677 40.3-161.3 -76.7 133.4 4.9 87.0 56.3 235 235 A V E +e 111 0A 0 -70,-0.4 -68,-2.6 -2,-0.4 2,-0.3 -0.952 25.7 149.1-129.2 143.3 8.0 87.9 58.4 236 236 A F E +e 112 0A 4 -125,-1.8 -123,-1.9 -2,-0.4 2,-0.3 -0.965 14.3 145.2-160.4 152.8 10.0 91.0 59.1 237 237 A G E -e 113 0A 0 -105,-0.4 -105,-2.6 -2,-0.3 2,-0.3 -0.990 25.1-131.9-171.6-175.7 12.0 92.3 62.1 238 238 A F E -eG 114 131A 2 -125,-1.8 -123,-1.3 -2,-0.3 2,-0.4 -0.991 12.5-127.4-156.1 159.3 14.9 94.2 63.5 239 239 A S E -eG 115 130A 0 -109,-2.7 -109,-3.0 -2,-0.3 2,-0.7 -0.889 16.9-140.6-110.4 136.9 17.7 94.1 66.0 240 240 A L E -eG 116 129A 0 -125,-2.8 -123,-3.0 -2,-0.4 2,-1.2 -0.893 24.2-132.7 -93.6 115.1 18.4 96.9 68.5 241 241 A I E +e 117 0A 0 -113,-2.7 -114,-2.8 -2,-0.7 -113,-0.4 -0.637 35.2 170.9 -72.7 101.9 22.1 97.2 68.6 242 242 A T E + 0 0 2 -125,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.585 59.7 7.3 -90.3 -10.6 22.6 97.3 72.4 243 243 A N E -e 118 0A 7 -126,-0.9 -124,-3.2 -118,-0.1 2,-0.6 -0.982 66.0-116.5-168.0 153.9 26.3 97.0 72.4 244 244 A K E -e 119 0A 69 -2,-0.3 2,-0.2 -126,-0.2 -124,-0.1 -0.875 42.8-124.8 -96.3 120.2 29.5 97.0 70.3 245 245 A V - 0 0 19 -126,-1.7 2,-0.5 -2,-0.6 -43,-0.0 -0.455 27.1-102.9 -70.6 137.4 31.1 93.5 70.6 246 246 A I + 0 0 48 -45,-0.2 -40,-0.2 1,-0.2 -1,-0.1 -0.448 42.7 175.7 -61.4 111.5 34.7 93.5 71.8 247 247 A M + 0 0 49 -2,-0.5 2,-0.4 -41,-0.1 -1,-0.2 0.462 59.9 57.9 -99.2 -3.9 36.6 92.8 68.6 248 248 A D S > S- 0 0 89 3,-0.1 3,-1.9 -42,-0.0 -1,-0.1 -0.997 93.4-100.3-133.4 133.5 40.2 93.1 70.0 249 249 A T T 3 S- 0 0 97 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.232 101.9 -3.5 -53.8 122.8 41.7 91.1 72.9 250 250 A E T 3 S+ 0 0 164 1,-0.2 2,-2.3 3,-0.1 -1,-0.3 0.629 78.2 158.5 67.8 21.1 41.7 93.0 76.2 251 251 A S < - 0 0 60 -3,-1.9 -1,-0.2 1,-0.2 -3,-0.1 -0.505 67.7 -91.4 -76.9 77.0 40.3 96.2 74.8 252 252 A Q S S+ 0 0 186 -2,-2.3 2,-0.3 -3,-0.1 -1,-0.2 0.585 93.6 69.5 13.2 71.9 39.0 97.4 78.2 253 253 A G - 0 0 37 2,-0.0 2,-0.3 -7,-0.0 -3,-0.1 -0.939 47.8-163.9 170.8 163.7 35.5 96.0 78.2 254 254 A K - 0 0 159 -2,-0.3 -9,-0.0 -4,-0.0 -2,-0.0 -0.919 33.4-105.0-165.3 138.1 33.0 93.1 78.4 255 255 A A - 0 0 28 -2,-0.3 2,-0.3 -54,-0.2 -55,-0.1 -0.249 35.5-177.8 -66.1 155.5 29.4 92.7 77.5 256 256 A N > - 0 0 52 1,-0.1 4,-1.6 0, 0.0 3,-0.3 -0.980 37.7-124.9-155.9 144.2 26.6 92.6 80.2 257 257 A H H > S+ 0 0 42 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.743 108.7 64.3 -61.2 -24.2 22.9 92.1 80.3 258 258 A E H > S+ 0 0 111 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.961 103.0 43.6 -65.4 -51.4 22.6 95.3 82.2 259 259 A E H > S+ 0 0 55 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 112.8 56.6 -62.3 -33.8 23.9 97.6 79.4 260 260 A V H X S+ 0 0 9 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.979 113.0 38.1 -60.4 -54.4 21.7 95.5 77.1 261 261 A L H X S+ 0 0 32 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.896 114.9 54.0 -64.1 -43.3 18.5 96.4 79.1 262 262 A E H >X S+ 0 0 135 -4,-3.2 4,-1.0 1,-0.2 3,-0.8 0.875 107.9 51.4 -59.8 -37.7 19.7 99.9 79.8 263 263 A A H 3X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.881 99.2 64.2 -67.8 -37.9 20.1 100.5 76.0 264 264 A G H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.739 100.5 54.5 -58.3 -22.7 16.6 99.2 75.3 265 265 A K H XX S+ 0 0 124 -3,-0.8 4,-0.7 -4,-0.7 3,-0.6 0.891 106.1 47.1 -79.9 -42.2 15.3 102.2 77.3 266 266 A Q H 3< S+ 0 0 173 -4,-1.0 4,-0.4 -3,-0.3 3,-0.2 0.922 122.3 36.8 -66.3 -41.9 17.0 104.9 75.4 267 267 A A T 3X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.326 94.9 94.4 -91.9 8.1 16.0 103.4 72.0 268 268 A A H <> S+ 0 0 19 -3,-0.6 4,-2.6 -5,-0.2 5,-0.2 0.989 86.3 43.0 -61.9 -62.8 12.6 102.3 73.4 269 269 A Q H X S+ 0 0 138 -4,-0.7 4,-2.5 1,-0.2 5,-0.3 0.889 113.6 58.0 -50.4 -41.4 10.7 105.4 72.3 270 270 A K H > S+ 0 0 44 -4,-0.4 4,-2.1 1,-0.2 3,-0.2 0.966 114.6 30.4 -53.0 -69.9 12.6 105.1 69.0 271 271 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.731 115.5 63.2 -67.4 -20.7 11.6 101.6 67.9 272 272 A E H X S+ 0 0 7 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.942 107.7 40.9 -68.1 -46.4 8.3 101.9 69.7 273 273 A Q H X S+ 0 0 86 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.933 114.7 54.5 -64.5 -45.8 7.2 104.8 67.3 274 274 A F H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.920 109.9 44.8 -54.2 -50.6 8.7 102.9 64.4 275 275 A V H X S+ 0 0 2 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.897 110.9 53.5 -64.2 -41.5 6.7 99.7 65.1 276 276 A S H >X S+ 0 0 21 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.931 111.5 46.1 -59.3 -44.8 3.5 101.6 65.6 277 277 A L H >X S+ 0 0 68 -4,-2.5 3,-1.2 1,-0.2 4,-0.6 0.877 104.5 61.2 -65.9 -39.0 3.9 103.3 62.3 278 278 A L H >X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.3 3,-0.6 0.751 87.8 74.8 -60.6 -23.4 4.8 100.1 60.5 279 279 A M H << S+ 0 0 1 -4,-1.0 3,-0.4 -3,-0.8 -1,-0.3 0.899 92.7 53.7 -55.7 -41.0 1.4 98.7 61.5 280 280 A A H << S+ 0 0 75 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.815 108.2 49.6 -63.7 -32.4 -0.1 101.0 58.8 281 281 A S H << S+ 0 0 34 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.721 83.8 101.7 -80.6 -24.6 2.3 99.5 56.2 282 282 A I S < S- 0 0 4 -4,-1.5 -172,-0.0 -3,-0.4 -255,-0.0 -0.475 76.7-123.9 -62.9 122.6 1.5 95.8 57.0 283 283 A P 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.124 360.0 360.0 -67.6 173.2 -0.9 94.6 54.3 284 284 A V 0 0 106 -175,-0.0 -258,-0.1 0, 0.0 -175,-0.0 0.345 360.0 360.0 93.1 360.0 -4.4 93.1 54.5