==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-10 3OOE . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.MIKLEUSEVIC,Z.STEFANIC,M.NARZYK,B.WIELGUS-KUTROWSKA,A.BZOW . 1393 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1065 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 197 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 12 0.9 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 . 119 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 407 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.4 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 6 2 4 1 1 0 12 0 4 8 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 6 0 0 4 3 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 19 4 3 9 0 6 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 0 4 2 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 65 0, 0.0 5,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 163.1 -29.6 19.6 -60.8 2 2 A T - 0 0 21 3,-2.4 3,-0.4 6,-0.0 5,-0.1 -0.736 360.0 -87.6-123.1 175.6 -29.4 18.6 -57.1 3 3 A P S S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.767 126.5 23.9 -60.0 -21.9 -30.8 20.4 -54.0 4 4 A H S S+ 0 0 9 1,-0.2 2,-0.4 67,-0.1 41,-0.1 0.446 117.9 60.3-122.8 -2.0 -27.7 22.5 -53.6 5 5 A I - 0 0 0 -3,-0.4 -3,-2.4 2,-0.1 2,-1.5 -0.939 59.9-158.4-132.8 112.5 -26.1 22.6 -57.1 6 6 A N + 0 0 105 -2,-0.4 2,-0.3 -5,-0.2 35,-0.1 -0.603 59.4 95.4 -88.4 80.5 -27.9 24.1 -60.1 7 7 A A - 0 0 3 -2,-1.5 2,-0.3 33,-0.1 -2,-0.1 -0.905 63.3-120.9-153.8 174.3 -26.0 22.3 -62.8 8 8 A E > - 0 0 112 -2,-0.3 3,-2.6 1,-0.1 4,-0.3 -0.881 44.2 -71.4-126.9 159.8 -26.3 19.2 -65.0 9 9 A M T 3 S+ 0 0 123 -2,-0.3 71,-0.1 1,-0.3 -1,-0.1 -0.163 121.1 30.3 -45.4 133.8 -24.2 16.1 -65.6 10 10 A G T 3 S+ 0 0 35 70,-0.4 -1,-0.3 2,-0.2 70,-0.1 0.095 90.5 98.3 98.5 -22.4 -21.1 17.0 -67.6 11 11 A D S < S+ 0 0 37 -3,-2.6 2,-0.3 28,-0.1 -2,-0.1 0.813 81.9 55.8 -66.9 -29.7 -20.9 20.5 -66.1 12 12 A F S S- 0 0 6 -4,-0.3 -2,-0.2 68,-0.2 37,-0.1 -0.785 85.6-124.0-102.5 149.3 -18.3 19.3 -63.7 13 13 A A - 0 0 3 -2,-0.3 44,-0.1 2,-0.3 -3,-0.1 -0.343 34.1-105.2 -74.8 168.4 -15.0 17.5 -64.4 14 14 A D S S+ 0 0 67 42,-0.2 69,-2.5 68,-0.2 70,-2.3 0.600 110.5 54.4 -75.6 -8.9 -14.4 14.1 -62.9 15 15 A V E S-a 84 0A 2 41,-0.2 43,-1.6 68,-0.2 2,-0.4 -0.991 71.2-171.5-121.3 135.0 -12.0 15.8 -60.5 16 16 A V E -ab 85 58A 0 68,-2.1 70,-2.4 -2,-0.4 2,-0.4 -0.989 14.2-150.4-130.2 122.7 -13.0 18.8 -58.3 17 17 A L E -ab 86 59A 0 41,-2.7 43,-2.3 -2,-0.4 70,-0.2 -0.765 21.8-166.7 -81.1 135.8 -10.8 21.0 -56.2 18 18 A M E +a 87 0A 0 68,-2.7 70,-1.9 -2,-0.4 2,-0.2 -0.917 16.9 179.2-136.4 107.4 -12.7 22.4 -53.3 19 19 A P - 0 0 0 0, 0.0 43,-1.6 0, 0.0 44,-0.3 -0.621 38.7-123.3 -81.5 160.4 -11.8 25.2 -50.9 20 20 A G S S+ 0 0 4 41,-0.3 43,-1.4 -2,-0.2 69,-0.1 0.781 97.9 75.8 -70.5 -26.1 -14.3 26.0 -48.2 21 21 A D >> - 0 0 5 1,-0.1 4,-2.0 40,-0.1 3,-0.7 -0.760 67.2-159.9 -92.3 113.4 -14.4 29.6 -49.5 22 22 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.772 95.0 59.6 -62.4 -23.9 -16.3 30.1 -52.8 23 23 A L H 3> S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.818 103.8 49.7 -73.6 -31.5 -14.3 33.3 -53.3 24 24 A R H <> S+ 0 0 7 -3,-0.7 4,-3.0 2,-0.2 5,-0.2 0.900 108.3 53.9 -67.7 -41.8 -11.1 31.3 -53.3 25 25 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.919 109.1 48.5 -54.9 -45.6 -12.7 28.9 -55.8 26 26 A K H X S+ 0 0 79 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.925 111.5 49.4 -61.5 -44.2 -13.4 32.0 -58.0 27 27 A Y H X S+ 0 0 54 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.904 111.6 48.8 -61.2 -41.4 -9.8 33.2 -57.6 28 28 A I H X>S+ 0 0 2 -4,-3.0 4,-3.1 2,-0.2 5,-0.9 0.943 111.3 49.7 -65.1 -45.9 -8.5 29.7 -58.5 29 29 A A H X5S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.2 7,-0.2 0.924 115.5 42.8 -56.3 -46.9 -10.7 29.6 -61.6 30 30 A E H <5S+ 0 0 127 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.753 124.3 36.0 -71.2 -23.2 -9.6 33.1 -62.8 31 31 A T H <5S+ 0 0 73 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.821 127.5 24.1-104.6 -39.2 -5.9 32.5 -62.0 32 32 A F H <5S+ 0 0 35 -4,-3.1 2,-0.3 -5,-0.2 -3,-0.2 0.682 108.4 70.4-105.4 -23.6 -5.1 28.8 -62.8 33 33 A L << - 0 0 15 -5,-0.9 3,-0.4 -4,-0.8 2,-0.3 -0.744 64.0-143.3-103.0 147.3 -7.7 27.7 -65.3 34 34 A E E S+C 51 0A 126 17,-2.5 17,-2.2 -2,-0.3 -3,-0.1 -0.758 84.4 10.0 -97.7 149.3 -8.2 28.6 -68.9 35 35 A D E S+ 0 0 144 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.851 86.0 179.1 55.4 40.4 -11.7 29.0 -70.4 36 36 A A E - 0 0 42 -3,-0.4 2,-0.4 -7,-0.2 14,-0.3 -0.530 8.0-173.3 -77.6 137.9 -13.3 28.8 -67.0 37 37 A R E -C 49 0A 127 12,-2.3 12,-2.5 -2,-0.2 2,-0.3 -0.987 29.2-111.8-130.5 144.5 -17.0 29.1 -66.7 38 38 A E E +C 48 0A 94 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.562 34.1 173.5 -72.2 132.6 -19.2 29.4 -63.7 39 39 A V E + 0 0 12 8,-3.5 2,-0.3 1,-0.3 9,-0.2 0.482 62.4 31.0-118.5 -10.7 -21.3 26.2 -63.3 40 40 A N E +C 47 0A 2 7,-1.5 7,-1.8 1,-0.1 -1,-0.3 -0.987 39.6 155.4-149.2 140.5 -23.0 26.8 -59.9 41 41 A N > + 0 0 76 -2,-0.3 3,-2.9 5,-0.2 5,-0.2 0.270 30.3 141.2-140.1 7.7 -24.1 29.8 -57.8 42 42 A V G > S- 0 0 36 1,-0.3 3,-2.1 3,-0.2 -38,-0.0 -0.322 87.3 -2.5 -54.8 126.6 -26.8 28.2 -55.6 43 43 A R G 3 S- 0 0 51 1,-0.3 -1,-0.3 681,-0.1 3,-0.1 0.653 125.3 -73.5 62.4 18.6 -26.5 29.8 -52.1 44 44 A G G < S+ 0 0 19 -3,-2.9 2,-1.9 1,-0.2 -1,-0.3 0.589 94.2 143.2 72.5 10.1 -23.5 31.7 -53.5 45 45 A M < - 0 0 17 -3,-2.1 -3,-0.2 -41,-0.1 -1,-0.2 -0.534 44.4-149.5 -84.0 79.5 -21.5 28.5 -53.4 46 46 A L - 0 0 25 -2,-1.9 15,-1.9 -5,-0.2 2,-0.4 -0.195 19.3-177.0 -61.4 131.3 -19.5 29.3 -56.6 47 47 A G E -CD 40 60A 0 -7,-1.8 -8,-3.5 13,-0.2 -7,-1.5 -0.982 2.8-172.6-128.0 141.6 -18.4 26.4 -58.8 48 48 A F E -CD 38 59A 15 11,-3.2 11,-2.2 -2,-0.4 2,-0.4 -0.937 12.3-158.5-132.6 152.4 -16.3 26.7 -62.0 49 49 A T E +CD 37 58A 8 -12,-2.5 -12,-2.3 -2,-0.3 9,-0.2 -0.995 32.8 124.6-132.7 132.9 -15.1 24.5 -64.8 50 50 A G E - D 0 57A 4 7,-2.6 7,-2.8 -2,-0.4 2,-0.3 -0.745 52.2 -82.9-155.6-160.8 -12.2 25.1 -67.1 51 51 A T E -CD 34 56A 39 -17,-2.2 -17,-2.5 5,-0.2 2,-0.5 -0.925 18.2-156.8-123.3 152.4 -8.9 23.4 -68.1 52 52 A Y E > S- D 0 55A 28 3,-2.6 3,-2.3 -2,-0.3 -19,-0.1 -0.980 87.6 -22.0-123.6 116.1 -5.5 23.2 -66.6 53 53 A K T 3 S- 0 0 137 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.902 131.3 -49.3 47.7 42.6 -2.8 22.4 -69.2 54 54 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 -20,-0.0 -1,-0.3 0.335 113.4 120.9 85.8 -6.3 -5.6 21.1 -71.4 55 55 A R E < - D 0 52A 44 -3,-2.3 -3,-2.6 1,-0.0 -1,-0.2 -0.788 67.9-118.8 -94.3 128.9 -7.1 18.9 -68.7 56 56 A K E + D 0 51A 94 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.466 45.7 165.9 -65.7 130.5 -10.8 19.5 -67.7 57 57 A I E - D 0 50A 2 -7,-2.8 -7,-2.6 -2,-0.2 2,-0.3 -0.995 22.5-152.8-147.1 146.7 -10.9 20.5 -64.1 58 58 A S E -bD 16 49A 0 -43,-1.6 -41,-2.7 -2,-0.3 2,-0.3 -0.876 4.1-167.8-118.7 158.4 -13.5 22.0 -61.7 59 59 A V E +bD 17 48A 1 -11,-2.2 -11,-3.2 -2,-0.3 2,-0.3 -0.985 16.2 162.1-143.6 132.3 -13.2 24.1 -58.6 60 60 A M E - D 0 47A 0 -43,-2.3 -13,-0.2 -2,-0.3 -14,-0.1 -0.990 38.0-108.9-153.4 140.6 -16.1 24.8 -56.2 61 61 A G - 0 0 0 -15,-1.9 -41,-0.3 -2,-0.3 -40,-0.1 -0.322 18.8-165.6 -66.3 152.7 -16.4 26.0 -52.6 62 62 A H - 0 0 0 -43,-1.6 10,-0.3 1,-0.2 -42,-0.2 0.421 35.3-127.2-116.9 -3.5 -17.7 23.5 -50.0 63 63 A G - 0 0 6 -43,-1.4 2,-0.5 -44,-0.3 -1,-0.2 -0.102 40.4 -52.0 80.3 176.8 -18.5 25.9 -47.2 64 64 A M S S+ 0 0 11 4,-0.1 707,-0.4 -44,-0.1 4,-0.3 -0.778 95.9 17.7 -96.6 125.9 -17.4 25.7 -43.6 65 65 A G S > S- 0 0 0 -2,-0.5 4,-2.3 705,-0.2 5,-0.3 0.022 86.2 -78.6 105.9 153.8 -17.8 22.5 -41.6 66 66 A I H > S+ 0 0 0 114,-0.3 4,-2.3 90,-0.2 5,-0.2 0.924 124.5 52.2 -54.1 -48.2 -18.4 18.8 -42.0 67 67 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 795,-0.3 0.899 111.6 47.5 -60.5 -37.1 -22.1 19.1 -42.5 68 68 A S H >> S+ 0 0 4 699,-0.4 4,-1.6 -4,-0.3 3,-0.5 0.979 115.3 41.5 -67.2 -55.3 -21.6 21.7 -45.3 69 69 A C H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.796 108.4 62.5 -66.7 -25.1 -18.9 19.9 -47.3 70 70 A S H 3X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.897 103.2 49.9 -64.3 -40.5 -20.7 16.6 -46.8 71 71 A I H S- 0 0 25 80,-0.3 3,-1.4 81,-0.2 112,-0.1 -0.476 79.4-121.0 -79.2 145.5 3.3 22.0 -33.6 96 96 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.787 106.1 32.9 -57.2 -38.8 6.3 24.3 -32.8 97 97 A H T 3 S+ 0 0 162 2,-0.1 2,-0.7 0, 0.0 -2,-0.0 0.116 86.2 106.4-116.5 21.7 8.0 24.3 -36.2 98 98 A V < - 0 0 6 -3,-1.4 2,-0.2 4,-0.0 -5,-0.1 -0.912 61.1-164.4 -89.0 118.9 5.0 24.1 -38.4 99 99 A K > - 0 0 133 -2,-0.7 3,-2.2 1,-0.1 103,-0.3 -0.650 25.8 -73.7-111.1 163.3 4.9 27.7 -39.8 100 100 A L T 3 S+ 0 0 29 1,-0.3 103,-0.2 -2,-0.2 -1,-0.1 -0.203 117.9 18.2 -49.7 135.9 2.5 30.0 -41.6 101 101 A R T 3 S+ 0 0 120 101,-3.4 -1,-0.3 1,-0.3 102,-0.1 0.387 87.0 140.7 77.6 -1.3 2.1 29.1 -45.2 102 102 A D < - 0 0 45 -3,-2.2 100,-2.5 100,-0.1 2,-0.4 -0.441 51.1-127.9 -62.4 145.2 3.5 25.5 -44.8 103 103 A V E -gH 148 201A 5 44,-0.5 46,-1.5 98,-0.2 2,-0.4 -0.859 26.6-171.2 -98.6 133.3 1.6 23.0 -46.9 104 104 A V E -gH 149 200A 3 96,-2.9 96,-2.7 -2,-0.4 2,-0.5 -0.967 12.4-148.7-126.8 141.5 0.3 19.9 -45.1 105 105 A I E -gH 150 199A 0 44,-3.3 46,-2.6 -2,-0.4 2,-1.3 -0.941 11.9-141.7-114.1 121.1 -1.3 16.8 -46.6 106 106 A G E +gH 151 198A 0 92,-2.5 92,-0.6 -2,-0.5 23,-0.2 -0.627 28.3 166.5 -84.5 89.6 -3.9 14.9 -44.6 107 107 A M E S+ 0 0 2 -2,-1.3 22,-2.2 44,-1.3 2,-0.3 0.828 82.1 14.8 -65.2 -29.0 -3.4 11.2 -45.2 108 108 A G E S-gI 152 128A 0 43,-1.6 45,-2.0 20,-0.2 2,-0.3 -0.905 71.1-149.0-134.4 166.1 -5.8 10.9 -42.3 109 109 A A E -gI 153 127A 3 18,-2.2 18,-0.5 -2,-0.3 45,-0.2 -0.906 4.6-158.9-142.5 115.0 -8.2 13.1 -40.4 110 110 A C E -g 154 0A 0 43,-3.1 45,-3.2 -2,-0.3 73,-0.4 -0.375 22.2-174.3 -71.9 165.0 -9.1 12.9 -36.7 111 111 A T E -gJ 1551288A 1 1177,-2.2 1177,-2.9 43,-0.2 45,-0.2 -0.991 41.5-152.0-159.9 154.1 -12.4 14.6 -35.7 112 112 A D S S+ 0 0 15 43,-1.1 705,-0.1 -2,-0.3 2,-0.1 0.212 71.0 111.4-105.4 11.5 -14.6 15.5 -32.8 113 113 A S - 0 0 0 42,-0.5 4,-0.2 1175,-0.1 3,-0.2 -0.440 66.0-141.9 -77.5 156.3 -17.7 15.2 -35.1 114 114 A K S > S+ 0 0 9 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 0.435 75.9 98.1 -94.9 -1.0 -20.2 12.4 -34.6 115 115 A V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.870 83.6 44.5 -61.4 -41.1 -20.8 11.7 -38.3 116 116 A N H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.867 111.0 54.7 -74.0 -31.7 -18.4 8.8 -38.8 117 117 A R H 4>S+ 0 0 15 -4,-0.2 5,-3.1 2,-0.2 6,-0.3 0.905 107.3 51.7 -62.8 -38.8 -19.7 7.2 -35.5 118 118 A I H ><5S+ 0 0 33 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.900 115.4 41.7 -60.9 -40.9 -23.2 7.5 -37.0 119 119 A R H 3<5S+ 0 0 15 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.854 118.5 45.4 -70.2 -35.7 -21.9 5.8 -40.2 120 120 A F T ><5S- 0 0 1 -4,-2.6 3,-1.9 3,-0.2 -1,-0.2 -0.174 115.3 -97.8-113.1 36.1 -19.8 3.1 -38.4 121 121 A K T < 5S- 0 0 72 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.840 79.7 -60.9 52.0 39.0 -22.0 1.8 -35.5 122 122 A D T 3 - 0 0 38 66,-2.4 4,-2.2 1,-0.1 5,-0.2 -0.703 37.2-138.9 -76.2 127.1 -6.9 7.8 -51.1 131 131 A F H > S+ 0 0 8 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.917 99.4 51.9 -58.7 -46.6 -3.3 6.6 -51.1 132 132 A D H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.897 109.9 50.1 -59.4 -40.8 -2.6 7.1 -54.8 133 133 A M H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 109.8 51.3 -64.1 -39.1 -3.9 10.7 -54.5 134 134 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.960 111.7 46.6 -59.4 -50.2 -1.6 11.3 -51.5 135 135 A R H X S+ 0 0 60 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.876 109.7 53.9 -60.8 -40.9 1.4 9.9 -53.4 136 136 A N H X S+ 0 0 19 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.887 109.7 48.6 -58.0 -43.2 0.5 12.1 -56.5 137 137 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.913 111.5 49.0 -64.0 -43.7 0.4 15.2 -54.2 138 138 A V H X S+ 0 0 22 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 113.7 46.6 -60.9 -46.2 3.8 14.3 -52.7 139 139 A D H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.896 112.0 50.0 -64.7 -40.7 5.3 13.7 -56.1 140 140 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.934 110.3 50.6 -62.3 -45.9 3.9 16.9 -57.5 141 141 A A H X>S+ 0 0 3 -4,-2.6 5,-2.9 2,-0.2 4,-0.6 0.903 110.6 49.6 -58.0 -44.0 5.2 18.9 -54.5 142 142 A K H ><5S+ 0 0 149 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.950 110.7 48.7 -60.3 -49.4 8.7 17.4 -55.0 143 143 A A H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 113.3 49.0 -57.7 -36.4 8.7 18.2 -58.7 144 144 A L H 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.512 112.2-119.5 -81.5 -7.4 7.6 21.8 -57.9 145 145 A G T <<5 + 0 0 68 -3,-1.4 2,-0.5 -4,-0.6 -3,-0.2 0.842 67.6 138.6 68.7 34.3 10.3 22.2 -55.2 146 146 A I < - 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0 0 8 23,-3.5 -90,-0.2 -2,-0.8 3,-0.2 -0.609 24.3-157.4 -93.9 146.6 -13.1 20.3 -35.7 157 157 A D S S+ 0 0 0 -2,-0.2 2,-0.7 1,-0.2 3,-0.1 0.776 89.0 52.7 -85.1 -32.7 -16.8 21.0 -35.3 158 158 A L - 0 0 11 1,-0.2 -1,-0.2 615,-0.0 3,-0.1 -0.842 57.3-175.0-112.1 98.1 -16.1 24.1 -33.2 159 159 A F S S+ 0 0 70 -2,-0.7 2,-1.0 611,-0.3 -1,-0.2 0.908 91.4 53.8 -46.7 -44.9 -13.7 26.6 -34.6 160 160 A Y S S- 0 0 51 -3,-0.1 -1,-0.3 2,-0.0 3,-0.0 -0.776 91.3-157.5 -96.5 94.0 -14.2 28.3 -31.2 161 161 A S - 0 0 44 -2,-1.0 3,-0.2 1,-0.2 -2,-0.1 -0.482 23.7-164.9 -78.9 131.9 -13.4 25.5 -28.8 162 162 A P S S+ 0 0 37 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.764 89.4 63.7 -76.0 -26.5 -14.6 25.6 -25.2 163 163 A D > + 0 0 36 1,-0.2 3,-1.3 2,-0.1 4,-0.3 -0.730 60.7 170.8-103.0 83.6 -12.1 22.9 -24.5 164 164 A G T > S+ 0 0 44 -2,-1.0 3,-1.4 1,-0.3 4,-0.5 0.770 70.1 72.6 -63.6 -26.2 -8.7 24.6 -25.1 165 165 A E T >> S+ 0 0 113 1,-0.3 4,-1.2 2,-0.2 3,-0.7 0.714 78.9 76.1 -65.3 -20.7 -6.8 21.6 -23.7 166 166 A M H <> S+ 0 0 5 -3,-1.3 4,-2.7 1,-0.2 -1,-0.3 0.849 85.5 62.6 -59.8 -33.4 -7.7 19.5 -26.8 167 167 A F H <> S+ 0 0 43 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.874 100.2 53.3 -59.5 -36.6 -5.0 21.5 -28.7 168 168 A D H <> S+ 0 0 89 -3,-0.7 4,-2.7 -4,-0.5 -1,-0.2 0.886 109.3 48.9 -63.5 -38.1 -2.4 20.0 -26.3 169 169 A V H X S+ 0 0 19 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.906 110.7 49.4 -70.1 -42.1 -3.7 16.6 -27.1 170 170 A M H <>S+ 0 0 6 -4,-2.7 5,-2.6 2,-0.2 -2,-0.2 0.932 112.5 48.6 -57.6 -46.0 -3.5 17.2 -30.8 171 171 A E H ><5S+ 0 0 61 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.961 108.8 52.8 -60.8 -49.8 0.0 18.5 -30.4 172 172 A K H 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.876 111.1 47.5 -50.2 -43.3 1.0 15.4 -28.4 173 173 A Y T 3<5S- 0 0 11 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.257 119.2-108.2 -93.1 15.1 -0.3 13.1 -31.1 174 174 A G T < 5 + 0 0 32 -3,-2.1 -22,-0.4 1,-0.2 2,-0.2 0.714 48.4 177.8 76.2 23.5 1.4 15.0 -33.9 175 175 A I < - 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