==== 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 TRANSFERASE 24-MAR-03 1OU4 . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.E.EALICK,E.M.BENNETT,R.ANAND,J.A.SECRIST,W.B.PARKER,A.E.HA . 711 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 10.4 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 . 6 0.8 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 . 49 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 3 0 3 0 0 3 3 0 3 3 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 2 1 0 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 1 2 4 0 3 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 0 0 0 0 0 0 0 0 3 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 A 0 0 75 0, 0.0 5,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 157.8 111.2 49.9 34.5 2 2 A T B > -A 5 0A 18 3,-3.2 3,-0.6 6,-0.0 5,-0.0 -0.818 360.0 -89.2-127.3 168.0 108.2 49.0 32.4 3 3 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.766 127.6 18.4 -47.0 -31.0 107.6 48.2 28.7 4 4 A H T 3 S+ 0 0 43 1,-0.2 2,-0.4 67,-0.1 41,-0.1 0.403 119.8 64.1-124.3 1.2 107.0 51.9 27.9 5 5 A I B < -A 2 0A 0 -3,-0.6 -3,-3.2 2,-0.1 2,-1.4 -0.936 59.1-160.3-132.7 111.3 108.6 53.7 30.9 6 6 A N + 0 0 99 -2,-0.4 2,-0.3 -5,-0.2 35,-0.1 -0.648 57.8 93.1 -91.2 82.3 112.3 53.5 31.7 7 7 A A - 0 0 5 -2,-1.4 2,-0.2 33,-0.1 -2,-0.1 -0.960 64.2-117.5-159.6 169.4 112.3 54.5 35.3 8 8 A E > - 0 0 110 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.735 46.1 -71.6-115.8 165.0 112.2 53.1 38.8 9 9 A M T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 71,-0.1 -0.226 119.0 30.6 -52.9 137.1 109.8 53.4 41.8 10 10 A G T 3 S+ 0 0 35 70,-0.3 -1,-0.3 2,-0.2 70,-0.1 0.178 89.5 99.8 97.7 -18.0 109.9 56.8 43.4 11 11 A D S < S+ 0 0 40 -3,-2.1 2,-0.3 28,-0.1 -2,-0.1 0.835 79.3 54.9 -71.3 -31.5 110.9 58.7 40.2 12 12 A F S S- 0 0 6 -4,-0.3 -2,-0.2 68,-0.2 37,-0.1 -0.776 87.3-123.1-101.8 148.0 107.3 59.8 39.6 13 13 A A - 0 0 2 -2,-0.3 44,-0.1 2,-0.3 -3,-0.1 -0.292 32.6-102.7 -77.7 172.6 105.3 61.7 42.2 14 14 A D S S+ 0 0 62 42,-0.2 70,-2.2 68,-0.2 69,-2.0 0.492 109.4 58.6 -76.5 -1.7 101.9 60.4 43.4 15 15 A V E S-b 84 0B 0 41,-0.2 43,-1.9 68,-0.2 2,-0.4 -0.996 70.6-167.8-130.4 128.2 100.2 62.9 41.2 16 16 A V E -bc 85 58B 0 68,-3.0 70,-2.8 -2,-0.4 2,-0.4 -0.961 12.4-155.9-127.0 126.8 100.7 63.1 37.4 17 17 A L E -bc 86 59B 2 41,-3.1 43,-2.0 -2,-0.4 70,-0.2 -0.803 18.5-168.4 -92.5 134.1 99.7 65.8 34.9 18 18 A M E -b 87 0B 0 68,-2.8 70,-1.9 -2,-0.4 43,-0.2 -0.915 7.8-173.7-132.7 109.2 99.4 64.4 31.4 19 19 A P E -b 88 0B 0 0, 0.0 43,-2.0 0, 0.0 44,-0.4 -0.481 31.1-120.6 -91.0 168.4 99.1 66.5 28.2 20 20 A G S S+ 0 0 10 68,-0.6 43,-1.5 41,-0.2 42,-0.2 0.995 95.9 55.3 -69.7 -66.2 98.4 65.0 24.8 21 21 A D S >> S- 0 0 63 1,-0.1 3,-1.4 40,-0.1 4,-0.5 -0.528 77.3-140.9 -73.2 128.8 101.5 66.2 22.9 22 22 A P H >> S+ 0 0 32 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.726 98.3 68.1 -59.2 -27.6 104.8 65.2 24.5 23 23 A L H 3> S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.782 94.1 58.9 -65.6 -26.5 106.3 68.6 23.6 24 24 A R H <> S+ 0 0 52 -3,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.780 94.2 62.2 -74.2 -28.2 104.0 70.2 26.1 25 25 A A H S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.8 0.928 109.9 48.6 -55.3 -50.5 105.0 72.5 31.6 29 29 A A H <5S+ 0 0 5 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.850 116.3 40.5 -61.2 -40.0 108.1 71.5 33.6 30 30 A E H <5S+ 0 0 132 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.668 121.5 43.8 -85.3 -15.5 110.2 74.4 32.6 31 31 A T H <5S+ 0 0 65 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.752 130.3 12.6 -99.8 -27.7 107.4 76.9 33.0 32 32 A F T <5S+ 0 0 32 -4,-2.7 2,-0.2 -5,-0.2 -3,-0.2 0.680 109.0 70.6-122.7 -26.6 105.6 75.9 36.2 33 33 A L < - 0 0 16 -5,-0.8 2,-0.3 -4,-0.5 3,-0.2 -0.577 62.8-142.6 -96.1 159.7 107.7 73.4 38.2 34 34 A E E S+D 51 0B 118 17,-2.3 17,-1.8 -2,-0.2 -3,-0.0 -0.874 77.0 12.9-117.9 152.9 110.9 74.0 40.1 35 35 A D E S- 0 0 146 -2,-0.3 -1,-0.2 15,-0.2 2,-0.2 0.893 85.0-176.0 51.2 46.3 114.0 71.8 40.4 36 36 A A E - 0 0 51 -3,-0.2 2,-0.3 -7,-0.2 14,-0.2 -0.492 11.7-171.2 -78.5 143.1 112.7 69.5 37.6 37 37 A R E -D 49 0B 116 12,-2.3 12,-2.1 -2,-0.2 2,-0.3 -0.960 26.4-111.7-130.1 148.4 114.6 66.3 36.6 38 38 A E E +D 48 0B 110 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.602 34.0 169.3 -81.4 140.7 114.0 64.0 33.6 39 39 A V E + 0 0 15 8,-3.2 2,-0.3 1,-0.3 9,-0.2 0.511 60.4 24.2-126.9 -11.9 112.6 60.6 34.4 40 40 A N E +D 47 0B 0 7,-1.2 7,-2.3 -35,-0.1 -1,-0.3 -0.976 35.9 157.3-159.2 143.8 111.6 59.1 31.0 41 41 A N > + 0 0 84 -2,-0.3 3,-2.7 5,-0.2 5,-0.2 0.329 32.0 141.3-142.8 -2.8 112.3 59.5 27.2 42 42 A V G > S- 0 0 41 1,-0.3 3,-2.3 3,-0.2 -38,-0.0 -0.186 84.5 -1.4 -49.8 133.3 111.2 56.1 25.8 43 43 A R G 3 S- 0 0 196 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.580 127.0 -71.6 59.2 10.6 109.6 56.6 22.4 44 44 A G G < S+ 0 0 46 -3,-2.7 2,-1.3 1,-0.2 -1,-0.3 0.637 97.0 136.7 82.1 13.9 110.1 60.3 22.8 45 45 A M < - 0 0 18 -3,-2.3 -3,-0.2 -41,-0.1 -1,-0.2 -0.680 46.4-152.1 -95.1 80.2 107.4 60.5 25.5 46 46 A L - 0 0 40 -2,-1.3 15,-0.9 -5,-0.2 2,-0.4 -0.240 11.0-163.9 -58.2 134.4 109.4 62.8 27.9 47 47 A G E -DE 40 60B 0 -7,-2.3 -8,-3.2 13,-0.2 -7,-1.2 -0.974 6.5-174.8-124.6 136.3 108.6 62.6 31.6 48 48 A F E -DE 38 59B 22 11,-3.0 11,-2.7 -2,-0.4 2,-0.3 -0.948 10.2-163.2-132.7 151.9 109.5 65.1 34.3 49 49 A T E +DE 37 58B 3 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.3 -0.975 31.6 117.4-131.5 143.5 109.3 65.3 38.1 50 50 A G E - E 0 57B 6 7,-2.5 7,-3.2 -2,-0.3 2,-0.3 -0.892 51.7 -76.3-173.5-158.1 109.6 68.5 40.3 51 51 A T E -DE 34 56B 36 -17,-1.8 -17,-2.3 5,-0.3 2,-0.5 -0.964 15.0-162.2-133.3 149.7 107.7 70.7 42.7 52 52 A Y E > S- E 0 55B 25 3,-2.1 3,-1.4 -2,-0.3 -19,-0.1 -0.954 89.7 -22.9-127.9 104.4 105.0 73.4 42.6 53 53 A K T 3 S- 0 0 140 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.910 130.8 -46.6 57.5 45.0 105.0 75.4 45.8 54 54 A G T 3 S+ 0 0 69 1,-0.2 2,-0.5 -20,-0.0 -1,-0.3 0.376 112.3 122.8 81.9 -4.9 106.6 72.5 47.7 55 55 A R E < - E 0 52B 37 -3,-1.4 -3,-2.1 1,-0.0 2,-0.4 -0.803 64.0-127.3 -94.6 124.2 104.3 69.9 46.2 56 56 A K E + E 0 51B 79 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.561 40.7 168.6 -71.1 126.4 106.0 67.1 44.4 57 57 A I E - E 0 50B 2 -7,-3.2 -7,-2.5 -2,-0.4 2,-0.3 -0.994 21.7-154.4-142.7 146.7 104.4 66.7 40.9 58 58 A S E -cE 16 49B 0 -43,-1.9 -41,-3.1 -2,-0.3 2,-0.3 -0.878 5.8-165.5-120.8 154.7 105.2 64.9 37.7 59 59 A V E +cE 17 48B 1 -11,-2.7 -11,-3.0 -2,-0.3 2,-0.3 -1.000 16.6 152.6-141.8 137.2 104.2 65.6 34.0 60 60 A M E - E 0 47B 0 -43,-2.0 -13,-0.2 -2,-0.3 -14,-0.1 -0.945 40.8-105.3-164.5 141.6 104.4 63.4 30.9 61 61 A G - 0 0 0 -15,-0.9 -41,-0.2 -2,-0.3 -40,-0.1 -0.351 18.7-164.3 -70.1 148.4 102.6 63.0 27.6 62 62 A H - 0 0 0 -43,-2.0 10,-0.2 1,-0.2 -42,-0.2 0.432 31.5-131.7-113.4 0.1 100.1 60.2 27.0 63 63 A G - 0 0 12 -43,-1.5 2,-0.4 -44,-0.4 -1,-0.2 -0.125 39.6 -50.3 77.0-178.6 99.8 60.2 23.2 64 64 A M S S+ 0 0 161 4,-0.1 4,-0.4 5,-0.0 117,-0.1 -0.786 94.0 21.7-100.0 138.5 96.5 60.2 21.1 65 65 A G S > S- 0 0 10 -2,-0.4 4,-2.0 2,-0.1 5,-0.3 0.176 85.2 -81.9 93.7 150.8 93.7 57.7 21.7 66 66 A I H > S+ 0 0 0 90,-0.2 4,-1.9 1,-0.2 5,-0.2 0.889 123.4 54.5 -52.9 -47.5 92.3 55.4 24.4 67 67 A P H > S+ 0 0 85 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.929 109.9 46.1 -56.0 -48.6 94.8 52.6 23.6 68 68 A S H >> S+ 0 0 33 -4,-0.4 4,-1.5 1,-0.2 3,-0.8 0.959 115.4 43.1 -60.7 -55.0 97.8 54.9 24.0 69 69 A C H 3X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.765 107.9 61.5 -65.5 -24.8 96.8 56.6 27.3 70 70 A S H 3X S+ 0 0 19 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.832 101.8 54.0 -69.1 -31.7 95.6 53.3 28.7 71 71 A I H S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 5,-0.7 0.896 112.6 51.6 -62.8 -42.1 101.9 51.4 34.2 76 76 A L H X5S+ 0 0 0 -4,-2.5 6,-2.0 3,-0.2 4,-1.1 0.916 113.6 45.7 -61.5 -42.7 102.1 54.6 36.3 77 77 A I H <5S+ 0 0 18 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.916 122.4 30.8 -68.7 -48.0 99.4 53.3 38.6 78 78 A T H <5S+ 0 0 56 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.698 131.1 30.5 -89.3 -18.1 100.6 49.7 39.2 79 79 A D H <5S+ 0 0 68 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.675 125.2 35.5-113.4 -21.6 104.3 50.1 38.9 80 80 A F S < - 0 0 14 80,-0.3 3,-1.6 81,-0.2 112,-0.0 -0.694 67.2-143.3 -86.0 130.5 76.9 73.1 21.8 96 96 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 111,-0.0 0.893 100.3 55.5 -56.8 -44.5 76.2 76.7 20.5 97 97 A H T 3 S+ 0 0 115 1,-0.1 2,-0.7 2,-0.1 -2,-0.0 0.272 87.9 91.9 -76.7 14.0 76.4 78.2 24.0 98 98 A V S < S- 0 0 3 -3,-1.6 -1,-0.1 4,-0.0 3,-0.1 -0.901 70.5-154.0-111.1 101.0 79.9 76.7 24.4 99 99 A K > - 0 0 118 -2,-0.7 3,-1.5 1,-0.1 103,-0.2 -0.299 26.0 -88.6 -75.4 158.4 82.4 79.4 23.2 100 100 A L T 3 S+ 0 0 16 1,-0.2 103,-0.2 103,-0.1 -1,-0.1 -0.405 112.9 23.0 -65.7 138.5 85.9 78.8 21.8 101 101 A R T 3 S+ 0 0 81 101,-3.2 -1,-0.2 1,-0.3 102,-0.1 0.487 87.0 146.3 82.2 5.5 88.6 78.7 24.5 102 102 A D < - 0 0 57 -3,-1.5 100,-2.2 100,-0.1 2,-0.6 -0.355 52.0-118.1 -69.6 155.5 86.1 77.8 27.3 103 103 A V E -hI 148 201B 7 44,-0.7 46,-2.5 98,-0.2 2,-0.4 -0.879 32.0-169.9-100.4 121.0 87.4 75.5 30.1 104 104 A V E -hI 149 200B 2 96,-3.2 96,-2.9 -2,-0.6 2,-0.5 -0.929 9.2-158.1-114.4 133.2 85.5 72.2 30.3 105 105 A I E -hI 150 199B 0 44,-3.2 46,-1.8 -2,-0.4 2,-1.2 -0.935 17.2-135.1-109.9 129.2 85.8 69.7 33.2 106 106 A G E +h 151 0B 0 92,-3.0 92,-0.5 -2,-0.5 46,-0.2 -0.667 32.8 164.5 -90.4 93.1 84.8 66.1 32.5 107 107 A M E S+ 0 0 96 44,-1.5 22,-1.8 -2,-1.2 2,-0.3 0.797 80.1 9.8 -71.8 -26.5 82.7 64.8 35.3 108 108 A G E -hJ 152 128B 6 43,-1.5 45,-1.2 20,-0.2 2,-0.3 -0.941 68.7-148.4-145.8 165.5 81.8 62.0 32.9 109 109 A A E -h 153 0B 9 18,-1.8 18,-0.4 -2,-0.3 45,-0.2 -0.887 3.8-161.2-148.1 113.9 82.8 60.6 29.5 110 110 A C E -h 154 0B 48 43,-3.2 45,-2.8 -2,-0.3 73,-0.3 -0.309 21.2-178.0 -78.6 169.8 80.7 58.9 26.9 111 111 A T E -h 155 0B 40 43,-0.2 45,-0.2 2,-0.1 69,-0.0 -0.981 41.2-145.5-168.2 156.7 82.5 56.9 24.2 112 112 A D S S+ 0 0 78 43,-1.1 2,-0.2 -2,-0.3 44,-0.1 0.147 72.8 109.3-110.3 14.8 82.0 54.8 21.0 113 113 A S - 0 0 12 42,-0.4 4,-0.2 1,-0.1 3,-0.1 -0.504 64.9-142.6 -87.6 159.9 84.9 52.5 22.1 114 114 A K S > S+ 0 0 83 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 0.431 73.9 99.0-102.9 -0.7 84.5 48.9 23.2 115 115 A V H > S+ 0 0 41 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.891 86.1 44.4 -56.8 -42.7 87.2 48.9 26.0 116 116 A N H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.861 109.9 54.4 -73.2 -32.1 84.8 49.4 28.9 117 117 A R H 4>S+ 0 0 129 1,-0.2 5,-3.3 2,-0.2 6,-0.4 0.911 105.7 54.3 -65.5 -39.1 82.2 46.9 27.6 118 118 A I H <5S+ 0 0 102 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.832 114.2 42.1 -61.0 -32.0 84.9 44.3 27.5 119 119 A R H <5S+ 0 0 87 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.829 114.8 49.9 -82.8 -34.8 85.6 45.1 31.1 120 120 A F T ><5S- 0 0 97 -4,-2.6 3,-1.8 3,-0.2 -1,-0.2 -0.209 117.9 -96.5-102.4 41.0 82.0 45.3 32.3 121 121 A K T 3 5S- 0 0 164 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.823 81.0 -60.3 51.5 35.0 80.5 42.1 30.9 122 122 A D T 3 - 0 0 35 66,-2.3 4,-1.7 1,-0.1 3,-0.2 -0.652 40.0-139.0 -74.9 126.7 86.9 61.4 41.1 131 131 A F H > S+ 0 0 124 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.880 98.3 51.8 -55.2 -47.4 84.4 63.8 42.6 132 132 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 108.5 52.6 -60.1 -37.7 86.8 65.6 44.9 133 133 A M H > S+ 0 0 4 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 108.1 52.0 -65.1 -36.4 89.1 66.2 42.0 134 134 A V H X S+ 0 0 9 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.924 112.6 43.5 -65.2 -45.5 86.2 67.7 40.0 135 135 A R H X S+ 0 0 132 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.840 110.6 56.2 -70.0 -32.6 85.3 70.1 42.9 136 136 A N H X S+ 0 0 21 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.948 109.3 46.2 -62.1 -48.3 88.9 71.0 43.5 137 137 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 111.3 52.2 -61.2 -42.3 89.3 72.1 39.8 138 138 A V H X S+ 0 0 50 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.924 112.8 44.3 -61.7 -43.7 86.1 74.1 40.0 139 139 A D H X S+ 0 0 83 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.834 112.0 51.9 -71.3 -32.0 87.2 76.0 43.1 140 140 A A H X S+ 0 0 2 -4,-2.3 4,-1.2 2,-0.2 6,-0.2 0.904 110.4 50.1 -68.9 -39.9 90.7 76.6 41.7 141 141 A A H <>S+ 0 0 2 -4,-2.4 5,-1.7 2,-0.2 3,-0.5 0.928 110.4 49.1 -62.1 -46.5 89.1 78.0 38.5 142 142 A K H ><5S+ 0 0 139 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.922 107.9 54.2 -59.9 -44.9 86.8 80.2 40.6 143 143 A A H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.5 48.8 -61.3 -26.5 89.8 81.5 42.6 144 144 A L T 3<5S- 0 0 70 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.254 116.5-113.4 -97.3 11.4 91.6 82.4 39.4 145 145 A G T < 5S+ 0 0 59 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.453 77.2 132.6 72.0 -1.9 88.6 84.2 38.0 146 146 A I < - 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0 0 10 23,-2.6 -90,-0.2 -2,-0.8 3,-0.1 -0.539 21.9-157.2 -86.0 148.1 85.9 59.2 20.1 157 157 A D S S+ 0 0 73 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.740 88.2 49.7 -89.4 -27.7 87.9 56.3 18.6 158 158 A L > - 0 0 96 1,-0.2 3,-0.6 -93,-0.0 -1,-0.2 -0.920 57.2-171.4-120.7 110.0 87.8 58.0 15.2 159 159 A F T 3 S+ 0 0 147 -2,-0.5 2,-0.8 1,-0.3 -1,-0.2 0.883 97.6 46.0 -59.2 -38.7 88.7 61.7 14.8 160 160 A Y T 3 S- 0 0 198 -3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.674 90.0-171.4-105.3 73.2 87.5 61.3 11.2 161 161 A S < - 0 0 45 -2,-0.8 -2,-0.0 -3,-0.6 5,-0.0 -0.454 27.1-139.1 -71.6 136.7 84.2 59.4 12.0 162 162 A P S S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.650 89.5 71.8 -66.5 -17.2 82.2 58.0 9.0 163 163 A D + 0 0 71 1,-0.1 4,-0.1 2,-0.0 -2,-0.1 -0.905 50.5 173.8-107.2 123.7 79.1 59.2 10.7 164 164 A G S > S+ 0 0 55 -2,-0.5 3,-0.6 1,-0.1 4,-0.3 0.545 74.2 72.6-101.3 -10.3 78.3 62.9 10.9 165 165 A E T >> S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.665 80.4 74.0 -76.8 -19.0 74.8 62.4 12.5 166 166 A M H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.809 86.4 63.2 -65.6 -30.3 76.4 61.4 15.8 167 167 A F H <> S+ 0 0 49 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.797 101.0 52.1 -65.5 -28.0 77.3 65.1 16.5 168 168 A D H <> S+ 0 0 96 -3,-0.8 4,-2.5 -4,-0.3 -1,-0.2 0.934 109.2 49.2 -70.4 -46.8 73.6 65.9 16.5 169 169 A V H X S+ 0 0 56 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.875 110.3 52.1 -59.0 -39.0 73.0 63.2 19.0 170 170 A M H <>S+ 0 0 9 -4,-2.3 5,-2.0 2,-0.2 3,-0.5 0.938 109.2 48.1 -63.7 -48.3 75.8 64.5 21.1 171 171 A E H ><5S+ 0 0 57 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.918 108.1 56.1 -58.7 -44.0 74.5 68.1 21.1 172 172 A K H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.1 46.7 -59.7 -30.9 71.0 66.8 22.1 173 173 A Y T 3<5S- 0 0 151 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.191 118.3-107.3-100.2 18.0 72.4 65.1 25.2 174 174 A G T < 5 + 0 0 34 -3,-1.7 -22,-0.4 1,-0.2 -3,-0.2 0.603 50.6 173.1 72.5 15.7 74.5 68.0 26.4 175 175 A I < - 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