==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-09 2WAN . COMPND 2 MOLECULE: PULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ACIDOPULLULYTICUS; . AUTHOR J.P.TURKENBURG,A.M.BRZOZOWSKI,A.SVENDSEN,T.V.BORCHERT, . 810 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 59 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 1 3 0 1 4 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 5 5 4 2 5 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 . 2 0 4 1 1 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 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 1 112 A P 0 0 109 0, 0.0 184,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 116.0 14.5 36.6 5.8 2 113 A S B -a 185 0A 33 182,-0.3 17,-2.8 178,-0.0 2,-0.7 -0.947 360.0-109.7-144.5 156.1 15.1 33.9 3.2 3 114 A V E -B 18 0B 1 182,-2.8 15,-0.3 -2,-0.3 3,-0.1 -0.851 41.6-167.3 -73.5 113.9 17.1 31.1 1.7 4 115 A S E + 0 0 48 13,-2.3 2,-0.3 -2,-0.7 14,-0.2 0.666 60.2 1.1 -89.3 -17.4 18.0 33.2 -1.4 5 116 A N E -B 17 0B 19 12,-1.1 12,-2.6 182,-0.1 2,-0.3 -0.952 58.5-170.5-163.3 150.0 19.4 30.3 -3.6 6 117 A A E -B 16 0B 0 182,-0.3 184,-2.7 -2,-0.3 2,-0.4 -0.958 2.9-170.2-151.0 133.9 20.0 26.6 -3.4 7 118 A Y E -Bc 15 190B 1 8,-2.1 8,-2.7 -2,-0.3 2,-1.0 -0.958 23.6-138.5-123.0 138.4 21.8 24.1 -5.7 8 119 A L E +Bc 14 191B 0 182,-2.2 184,-2.5 -2,-0.4 186,-2.0 -0.844 33.7 168.1 -90.3 101.3 21.9 20.3 -5.7 9 120 A D E + 0 0 27 4,-1.7 2,-0.3 -2,-1.0 5,-0.2 0.462 61.6 14.0-101.9 -5.1 25.7 20.0 -6.3 10 121 A D E > S-B 13 0B 72 3,-1.2 3,-1.0 -3,-0.1 184,-0.3 -0.925 94.7 -86.4-153.0 174.2 26.1 16.3 -5.6 11 122 A E T 3 S+ 0 0 90 -2,-0.3 158,-0.1 1,-0.3 183,-0.1 0.881 129.0 14.4 -54.2 -38.4 23.7 13.3 -5.2 12 123 A K T 3 S+ 0 0 81 158,-0.2 155,-2.7 156,-0.1 2,-0.4 -0.031 109.9 96.9-127.2 30.2 23.3 14.1 -1.5 13 124 A T E < -BD 10 166B 27 -3,-1.0 -4,-1.7 153,-0.2 -3,-1.2 -0.981 44.7-172.9-130.1 126.0 24.7 17.7 -1.2 14 125 A V E -BD 8 165B 0 151,-2.2 151,-3.5 -2,-0.4 2,-0.6 -0.955 11.3-154.9-115.7 133.2 22.9 21.0 -1.3 15 126 A L E -BD 7 164B 18 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.4 -0.941 22.6-174.2-106.5 112.0 24.7 24.4 -1.4 16 127 A A E -BD 6 163B 0 147,-2.9 147,-2.8 -2,-0.6 2,-0.4 -0.922 16.3-153.6-120.1 133.0 22.4 27.1 0.1 17 128 A K E -BD 5 162B 35 -12,-2.6 -13,-2.3 -2,-0.4 -12,-1.1 -0.849 12.6-153.8-102.0 133.5 22.7 30.8 0.4 18 129 A L E -B 3 0B 0 143,-3.0 -15,-0.2 -2,-0.4 4,-0.0 -0.827 21.2-132.2-109.1 145.6 21.0 32.8 3.1 19 130 A S E S+ 0 0 59 -17,-2.8 -16,-0.1 -2,-0.3 -1,-0.1 0.615 97.7 17.4 -69.5 -14.0 19.9 36.5 3.0 20 131 A M E S- 0 0 101 -18,-0.3 -1,-0.1 140,-0.1 140,-0.1 -0.973 95.1 -93.8-153.6 152.5 21.6 36.9 6.5 21 132 A P E - 0 0 88 0, 0.0 2,-0.3 0, 0.0 140,-0.3 -0.176 34.7-162.8 -70.5 159.0 24.2 34.9 8.4 22 133 A M E - D 0 160B 29 138,-2.6 138,-2.3 136,-0.0 2,-0.6 -0.936 22.5-120.5-131.4 158.4 23.4 32.2 11.0 23 134 A T E - D 0 159B 87 -2,-0.3 136,-0.2 136,-0.2 135,-0.1 -0.909 38.9-126.3 -96.9 123.2 25.3 30.5 13.8 24 135 A L - 0 0 5 134,-2.6 133,-2.8 -2,-0.6 2,-0.1 -0.387 25.8-169.1 -72.7 145.7 25.3 26.7 13.1 25 136 A A - 0 0 48 1,-0.3 130,-0.2 131,-0.2 22,-0.2 -0.286 40.8 -46.5-110.6-161.2 24.1 24.2 15.7 26 137 A D S > S- 0 0 120 -2,-0.1 3,-2.5 129,-0.1 -1,-0.3 -0.273 96.7 -30.5 -69.4 157.7 24.4 20.4 15.8 27 138 A A T 3 S+ 0 0 66 1,-0.3 20,-0.7 2,-0.1 18,-0.1 -0.006 137.2 11.7 42.6-112.6 23.5 18.0 12.9 28 139 A A T > S- 0 0 27 16,-0.2 3,-1.9 18,-0.2 -1,-0.3 0.681 84.1-149.2 -69.6 -21.8 20.8 19.5 10.7 29 140 A S T < S- 0 0 16 -3,-2.5 -2,-0.1 1,-0.3 153,-0.1 0.858 70.7 -52.1 50.8 40.9 21.1 23.0 12.4 30 141 A G T 3 S+ 0 0 31 1,-0.2 152,-0.8 -4,-0.2 2,-0.3 0.483 103.4 139.2 80.1 4.0 17.4 23.6 11.8 31 142 A F E < -F 181 0C 4 -3,-1.9 13,-0.5 150,-0.2 2,-0.3 -0.640 28.5-174.3 -86.4 138.3 17.5 22.8 8.1 32 143 A T E -F 180 0C 89 148,-2.9 148,-2.4 -2,-0.3 2,-0.4 -0.964 9.8-164.3-128.5 148.4 14.8 20.8 6.3 33 144 A V E -FG 179 42C 4 9,-0.8 9,-3.0 -2,-0.3 2,-0.4 -1.000 10.1-177.3-130.5 131.2 14.4 19.4 2.7 34 145 A I E -FG 178 41C 49 144,-1.9 144,-2.4 -2,-0.4 2,-1.0 -0.987 28.1-136.7-127.7 137.7 11.2 18.2 1.2 35 146 A D E > -F 177 0C 5 5,-3.3 4,-2.0 -2,-0.4 3,-0.5 -0.836 21.0-166.7 -84.7 101.2 10.4 16.7 -2.2 36 147 A K T 4 S+ 0 0 114 140,-2.8 141,-0.1 -2,-1.0 -1,-0.1 0.629 80.3 63.7 -68.0 -15.3 7.2 18.7 -3.0 37 148 A T T 4 S+ 0 0 81 139,-0.6 -1,-0.2 1,-0.1 140,-0.1 0.919 121.4 17.8 -71.7 -46.2 6.3 16.3 -5.8 38 149 A T T 4 S- 0 0 81 -3,-0.5 -2,-0.2 138,-0.2 -1,-0.1 0.485 100.3-122.0-103.8 -9.4 5.8 13.3 -3.6 39 150 A G < + 0 0 46 -4,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.344 61.4 149.5 80.8 -6.1 5.5 15.0 -0.2 40 151 A E - 0 0 100 -5,-0.4 -5,-3.3 -6,-0.1 2,-0.4 -0.395 41.2-140.7 -68.1 128.5 8.5 13.1 1.1 41 152 A K E -G 34 0C 167 -7,-0.2 -7,-0.2 -2,-0.2 -1,-0.1 -0.710 10.4-156.0 -84.3 136.9 10.7 14.7 3.7 42 153 A I E -G 33 0C 5 -9,-3.0 -9,-0.8 -2,-0.4 2,-0.1 -0.975 20.1-125.0-114.9 119.1 14.4 14.1 3.3 43 154 A P - 0 0 83 0, 0.0 125,-2.2 0, 0.0 2,-0.6 -0.406 11.3-134.7 -66.4 134.6 16.5 14.4 6.5 44 155 A V E -E 167 0B 13 -13,-0.5 123,-0.2 123,-0.2 -16,-0.2 -0.830 22.6-176.1 -82.9 118.7 19.4 16.9 6.6 45 156 A T E + 0 0 74 121,-2.4 2,-0.3 -2,-0.6 122,-0.2 0.611 63.1 13.2 -94.4 -15.9 22.2 14.9 8.3 46 157 A S E -E 166 0B 41 120,-1.0 120,-2.3 -18,-0.1 2,-0.4 -0.973 53.7-165.3-162.8 142.3 24.9 17.6 8.4 47 158 A A E +E 165 0B 5 -20,-0.7 2,-0.3 -2,-0.3 108,-0.2 -0.925 21.4 162.0-138.4 110.9 25.2 21.4 7.9 48 159 A V E -E 164 0B 13 116,-2.3 116,-3.2 -2,-0.4 2,-0.3 -0.811 44.2 -93.3-121.9 162.8 28.6 23.0 7.5 49 160 A S E -E 163 0B 24 -2,-0.3 114,-0.3 114,-0.2 111,-0.0 -0.600 23.3-155.6 -73.9 139.9 29.8 26.4 6.2 50 161 A A + 0 0 28 112,-2.8 113,-0.2 -2,-0.3 -1,-0.1 0.549 58.4 115.3 -92.0 -10.8 30.8 26.3 2.5 51 162 A N - 0 0 65 111,-0.6 -2,-0.1 1,-0.1 113,-0.1 -0.378 69.8-121.5 -59.9 131.0 33.1 29.2 2.9 52 163 A P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.374 19.9-144.3 -70.1 153.6 36.7 28.3 2.2 53 164 A V - 0 0 40 2,-0.1 2,-0.7 -2,-0.0 29,-0.1 -0.989 10.2-167.3-123.7 124.1 39.3 28.8 4.9 54 165 A T + 0 0 40 -2,-0.5 52,-2.0 2,-0.0 2,-0.5 -0.924 19.0 168.6-108.6 101.9 42.9 29.8 4.1 55 166 A A E -I 105 0D 0 -2,-0.7 25,-3.3 25,-0.3 2,-0.5 -0.970 10.7-171.8-123.5 114.3 44.9 29.4 7.3 56 167 A V E -IJ 104 79D 0 48,-2.8 48,-2.8 -2,-0.5 2,-0.5 -0.914 24.7-126.6-113.5 129.7 48.7 29.6 7.0 57 168 A L E -I 103 0D 0 21,-2.5 2,-0.3 -2,-0.5 46,-0.2 -0.622 37.8-174.2 -71.1 118.5 51.1 28.7 9.8 58 169 A V E +I 102 0D 0 44,-2.6 44,-2.5 -2,-0.5 2,-0.3 -0.907 25.6 77.9-120.8 148.1 53.4 31.8 10.2 59 170 A G E > S-I 101 0D 0 -2,-0.3 12,-2.2 42,-0.2 3,-0.9 -0.976 90.6 -49.9 154.7-162.5 56.5 32.5 12.3 60 171 A D T 3 S+ 0 0 59 40,-1.4 4,-0.3 -2,-0.3 41,-0.1 0.282 122.7 68.9 -89.2 9.7 60.2 31.8 12.6 61 172 A L T 3 S+ 0 0 0 39,-0.5 4,-0.4 2,-0.1 -1,-0.2 0.328 73.2 93.0-100.7 2.1 59.6 28.1 12.0 62 173 A Q S X >S+ 0 0 0 -3,-0.9 5,-2.7 2,-0.2 3,-0.5 0.865 83.7 46.6 -71.1 -40.2 58.5 28.6 8.4 63 174 A Q G > 5S+ 0 0 105 1,-0.2 3,-2.5 3,-0.2 -1,-0.2 0.922 108.5 56.9 -65.1 -45.1 61.9 28.1 6.7 64 175 A A G 3 5S+ 0 0 46 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.614 106.9 51.4 -60.3 -14.8 62.4 25.0 8.8 65 176 A L G < 5S- 0 0 29 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.133 132.7 -91.2-108.8 15.7 59.1 23.7 7.3 66 177 A G T < 5S+ 0 0 47 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.309 80.1 137.2 100.0 -7.0 60.3 24.4 3.8 67 178 A A < - 0 0 7 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.372 58.0-128.0 -71.7 150.7 59.1 28.0 3.2 68 179 A A S S+ 0 0 68 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.940 88.6 17.0 -60.0 -48.2 61.3 30.5 1.4 69 180 A N S S- 0 0 101 -7,-0.1 3,-0.3 3,-0.1 -1,-0.1 -0.908 76.1-115.0-131.8 152.1 61.0 33.1 4.2 70 181 A N S S+ 0 0 47 -2,-0.3 -10,-0.2 1,-0.2 -12,-0.1 -0.372 94.0 24.5 -76.0 162.0 59.8 33.4 7.8 71 182 A W S S+ 0 0 94 -12,-2.2 -1,-0.2 1,-0.2 -13,-0.1 0.900 83.1 144.1 47.8 53.6 56.7 35.5 8.9 72 183 A S > - 0 0 23 -3,-0.3 3,-1.3 -13,-0.2 -1,-0.2 -0.870 31.6-175.2-128.6 100.1 55.1 35.2 5.5 73 184 A P T 3 S+ 0 0 12 0, 0.0 34,-0.4 0, 0.0 35,-0.2 0.657 83.3 56.0 -68.9 -19.5 51.3 34.8 5.4 74 185 A D T 3 S+ 0 0 100 33,-0.2 2,-0.9 32,-0.1 5,-0.1 0.344 77.6 104.4 -98.3 6.4 51.0 34.3 1.7 75 186 A D X - 0 0 34 -3,-1.3 3,-1.3 1,-0.1 -3,-0.1 -0.782 52.2-166.7 -89.4 104.2 53.4 31.3 1.5 76 187 A D G > + 0 0 71 -2,-0.9 3,-1.4 1,-0.3 -1,-0.1 0.384 69.8 95.1 -75.9 5.6 51.1 28.2 1.0 77 188 A H G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -20,-0.0 -10,-0.0 0.858 96.8 34.3 -58.2 -36.8 54.0 25.9 1.8 78 189 A T G < S+ 0 0 0 -3,-1.3 -21,-2.5 -21,-0.1 2,-0.3 -0.115 87.3 142.5-111.1 32.2 52.6 26.0 5.4 79 190 A L B < -J 56 0D 44 -3,-1.4 -23,-0.2 -23,-0.2 2,-0.2 -0.591 54.3-118.0 -70.2 130.7 48.9 26.2 4.4 80 191 A L - 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0 0 33 -3,-1.7 4,-0.3 1,-0.2 3,-0.2 0.581 68.1-133.7 -79.4 -11.0 29.7 50.3 -37.1 685 796 A G > - 0 0 16 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 -0.248 33.0 -52.5 88.5-174.5 28.6 49.4 -40.6 686 797 A D H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.826 122.6 60.4 -79.7 -37.3 30.1 49.3 -44.1 687 798 A S H 4 S+ 0 0 103 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.859 118.4 35.5 -58.1 -34.4 31.6 52.8 -44.5 688 799 A V H 4 S+ 0 0 25 -4,-0.3 -2,-0.2 -3,-0.1 -1,-0.2 0.938 131.2 26.5 -80.1 -52.7 33.7 52.0 -41.4 689 800 A N H < S+ 0 0 0 -4,-2.5 -3,-0.2 -8,-0.1 -2,-0.2 0.614 88.5 111.0 -93.6 -18.2 34.4 48.2 -41.9 690 801 A Q S < S- 0 0 42 -4,-2.6 2,-0.9 -5,-0.2 -16,-0.2 -0.125 74.5-108.2 -65.2 156.4 34.3 47.4 -45.6 691 802 A F - 0 0 2 -360,-2.8 2,-1.0 -18,-0.1 -356,-0.4 -0.788 33.1-158.0 -72.5 107.8 37.2 46.5 -47.9 692 803 A D > - 0 0 48 -2,-0.9 3,-1.8 1,-0.1 4,-0.3 -0.848 4.3-164.8 -90.7 100.7 37.5 49.7 -49.9 693 804 A W T >> S+ 0 0 0 -2,-1.0 4,-1.0 1,-0.3 3,-0.8 0.649 77.7 76.5 -72.9 -14.1 39.3 48.2 -52.9 694 805 A S H 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.763 86.7 65.0 -58.8 -26.0 40.3 51.6 -54.2 695 806 A R H <> S+ 0 0 37 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.780 94.2 57.2 -73.4 -24.9 42.9 51.6 -51.5 696 807 A K H <4 S+ 0 0 0 -3,-0.8 -1,-0.2 -4,-0.3 7,-0.2 0.886 110.0 44.8 -66.9 -36.5 44.6 48.6 -53.1 697 808 A A H >< S+ 0 0 25 -4,-1.0 3,-1.0 1,-0.2 -2,-0.2 0.939 116.4 46.8 -66.7 -44.6 44.9 50.8 -56.3 698 809 A Q H 3< S+ 0 0 118 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.843 124.6 30.5 -65.7 -38.6 46.1 53.7 -54.1 699 810 A F T 3X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 3,-0.5 -0.209 72.9 137.1-118.4 42.2 48.6 51.7 -52.1 700 811 A K H <> S+ 0 0 64 -3,-1.0 4,-2.9 1,-0.3 5,-0.2 0.830 72.4 57.8 -59.3 -34.9 49.6 49.1 -54.6 701 812 A D H > S+ 0 0 132 2,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.908 107.7 47.6 -62.5 -39.9 53.3 49.5 -53.6 702 813 A V H > S+ 0 0 4 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.952 111.7 50.0 -63.6 -47.2 52.3 48.6 -50.0 703 814 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.923 111.9 48.5 -54.7 -46.9 50.3 45.6 -51.3 704 815 A D H X S+ 0 0 62 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.861 109.6 52.1 -63.3 -37.8 53.3 44.5 -53.3 705 816 A Y H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 111.5 46.2 -63.2 -50.3 55.6 44.9 -50.3 706 817 A F H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.940 113.9 49.3 -54.3 -48.7 53.4 42.7 -48.2 707 818 A S H X S+ 0 0 15 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.910 109.7 51.2 -59.9 -42.2 53.1 40.1 -51.0 708 819 A S H X S+ 0 0 43 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.890 112.2 46.6 -65.6 -40.2 56.8 40.0 -51.5 709 820 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.890 113.5 48.6 -63.9 -44.4 57.4 39.4 -47.7 710 821 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 112.1 47.9 -65.5 -47.0 54.7 36.7 -47.6 711 822 A H H X S+ 0 0 72 -4,-2.9 4,-1.7 -341,-0.2 -1,-0.2 0.877 108.6 55.4 -62.1 -37.8 56.1 34.9 -50.7 712 823 A L H X S+ 0 0 3 -4,-1.9 4,-1.1 -5,-0.2 3,-0.3 0.949 110.0 45.3 -58.1 -51.3 59.6 35.1 -49.2 713 824 A R H >< S+ 0 0 2 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.905 111.0 53.9 -56.0 -44.1 58.5 33.3 -46.0 714 825 A N H 3< S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.2 43.6 -61.3 -32.3 56.5 30.8 -48.1 715 826 A Q H 3< S+ 0 0 125 -4,-1.7 38,-0.3 -3,-0.3 -1,-0.2 0.624 109.4 60.0 -86.5 -17.5 59.7 29.9 -50.0 716 827 A H X< - 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