==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-OCT-10 3P9U . COMPND 2 MOLECULE: TETX2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR K.WALKIEWICZ,M.DAVLIEVA,C.SUN,K.LAU,Y.SHAMOO . 1466 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 964 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 15.3 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 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 . 6 0.4 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 . 94 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.0 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 4 4 0 10 2 4 0 12 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 RESIDUES PER ALPHA HELIX . 0 4 4 12 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 . 6 4 4 8 4 4 4 0 4 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 7 1 4 0 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 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 13 A L 0 0 105 0, 0.0 325,-0.1 0, 0.0 324,-0.1 0.000 360.0 360.0 360.0 165.2 25.3 18.2 20.3 2 14 A L + 0 0 30 323,-0.2 2,-0.5 1,-0.2 331,-0.1 0.382 360.0 76.9 -63.5 4.9 28.8 17.3 21.7 3 15 A S + 0 0 11 322,-0.2 26,-0.2 1,-0.1 -1,-0.2 -0.768 31.0 138.4-122.0 84.3 29.7 15.5 18.5 4 16 A D S S+ 0 0 158 -2,-0.5 -1,-0.1 24,-0.1 2,-0.1 -0.077 76.6 67.6 -97.6 30.3 30.7 17.7 15.6 5 17 A K S S- 0 0 96 24,-0.0 24,-0.4 144,-0.0 2,-0.3 0.001 94.9 -85.3-118.7-140.5 33.3 15.0 15.3 6 18 A N - 0 0 35 22,-0.1 144,-1.6 -2,-0.1 145,-1.6 -0.974 24.2-147.2-149.5 136.9 33.0 11.3 14.3 7 19 A V E -ab 30 151A 2 22,-3.3 24,-1.6 -2,-0.3 2,-0.5 -0.708 2.7-158.5 -98.8 145.4 32.2 8.0 16.0 8 20 A A E -ab 31 152A 1 143,-3.1 145,-3.3 -2,-0.3 2,-0.6 -0.973 5.6-164.9-120.1 116.9 33.5 4.5 15.3 9 21 A I E -ab 32 153A 0 22,-2.8 24,-2.8 -2,-0.5 2,-0.9 -0.886 9.8-152.0 -93.6 125.8 31.5 1.6 16.5 10 22 A I E +ab 33 154A 5 143,-2.3 145,-2.6 -2,-0.6 24,-0.2 -0.850 66.8 43.1 -99.5 100.5 33.4 -1.7 16.4 11 23 A G - 0 0 6 22,-1.1 23,-0.2 -2,-0.9 145,-0.1 0.108 56.2-150.9 131.8 116.3 30.9 -4.4 16.0 12 24 A G + 0 0 1 4,-0.2 22,-0.1 21,-0.1 144,-0.1 -0.094 55.4 123.1-101.2 34.1 27.8 -4.8 13.9 13 25 A G S > S- 0 0 24 142,-0.6 4,-2.7 1,-0.1 5,-0.3 -0.193 86.3 -80.4 -73.1-176.7 25.8 -7.1 16.2 14 26 A P H > S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.883 133.2 46.6 -53.0 -43.3 22.3 -6.2 17.4 15 27 A V H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.970 113.7 46.6 -67.7 -50.6 23.8 -3.9 20.1 16 28 A G H > S+ 0 0 1 139,-0.4 4,-2.5 1,-0.2 -4,-0.2 0.917 113.4 48.7 -57.1 -46.8 26.4 -2.2 17.8 17 29 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.881 108.8 53.4 -61.7 -38.9 23.8 -1.6 15.1 18 30 A T H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 5,-0.2 0.938 108.7 50.6 -62.1 -45.8 21.3 -0.1 17.6 19 31 A X H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.974 108.4 51.7 -48.0 -59.5 24.0 2.3 18.7 20 32 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.893 113.1 45.9 -47.3 -44.9 24.6 3.3 15.1 21 33 A K H X S+ 0 0 34 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.888 111.1 49.8 -69.7 -43.3 20.9 4.0 14.7 22 34 A L H < S+ 0 0 1 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.834 116.1 43.9 -65.5 -36.3 20.4 5.9 17.9 23 35 A L H ><>S+ 0 0 3 -4,-2.7 3,-2.4 -5,-0.2 5,-1.5 0.962 111.0 51.5 -71.3 -53.8 23.3 8.1 17.1 24 36 A Q H ><5S+ 0 0 19 -4,-2.8 3,-1.2 -5,-0.3 -2,-0.2 0.705 98.6 67.6 -61.0 -18.3 22.6 8.7 13.5 25 37 A Q T 3<5S+ 0 0 86 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.773 102.3 48.2 -68.5 -26.1 19.0 9.7 14.5 26 38 A N T < 5S- 0 0 67 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.067 124.6-103.1-101.4 19.7 20.6 12.8 16.2 27 39 A G T < 5S+ 0 0 66 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.539 70.8 151.0 70.7 5.9 22.7 13.6 13.1 28 40 A I < - 0 0 5 -5,-1.5 2,-0.8 -6,-0.1 -1,-0.2 -0.378 51.5-116.4 -64.5 148.6 25.9 12.2 14.7 29 41 A D + 0 0 88 -24,-0.4 -22,-3.3 -26,-0.2 2,-0.4 -0.800 46.8 167.5 -89.3 105.4 28.5 10.9 12.2 30 42 A V E -a 7 0A 4 -2,-0.8 2,-0.4 -24,-0.2 -22,-0.2 -0.945 21.6-172.3-122.5 143.3 28.9 7.1 12.9 31 43 A S E -a 8 0A 25 -24,-1.6 -22,-2.8 -2,-0.4 2,-0.6 -0.996 14.3-148.6-124.5 139.0 30.5 4.2 11.1 32 44 A V E -ac 9 121A 0 88,-2.6 90,-3.8 -2,-0.4 2,-0.8 -0.919 6.9-155.7-105.5 121.6 30.1 0.6 12.1 33 45 A Y E +ac 10 122A 11 -24,-2.8 -22,-1.1 -2,-0.6 2,-0.4 -0.866 19.7 178.8 -98.8 109.0 33.1 -1.6 11.4 34 46 A E - 0 0 16 88,-1.6 91,-2.8 -2,-0.8 92,-0.1 -0.874 27.9-150.9-111.7 140.8 32.0 -5.2 11.1 35 47 A R + 0 0 154 -2,-0.4 91,-0.2 89,-0.3 -1,-0.1 0.615 63.9 109.7 -89.0 -11.2 34.1 -8.2 10.3 36 48 A D S S- 0 0 42 89,-0.2 88,-2.9 1,-0.1 89,-0.3 -0.363 76.9-124.8 -56.1 145.1 31.4 -10.2 8.7 37 49 A N S S- 0 0 111 86,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.877 78.5 -9.0 -63.4 -41.3 32.2 -10.4 4.9 38 50 A D S > S- 0 0 74 85,-0.1 3,-2.1 86,-0.0 -1,-0.2 -0.980 76.0 -90.4-153.7 161.7 28.8 -9.0 3.7 39 51 A R T 3 S+ 0 0 162 -2,-0.3 74,-0.1 1,-0.3 -2,-0.0 0.693 119.9 56.8 -36.4 -31.4 25.3 -8.0 4.8 40 52 A E T 3 + 0 0 148 2,-0.1 -1,-0.3 -4,-0.0 3,-0.1 0.329 69.7 129.9-101.7 7.1 24.2 -11.5 4.0 41 53 A A < - 0 0 8 -3,-2.1 2,-0.3 1,-0.1 -5,-0.1 -0.355 64.8-108.4 -63.9 138.7 26.5 -13.7 6.2 42 54 A R - 0 0 210 1,-0.1 2,-0.7 -2,-0.0 -1,-0.1 -0.500 23.5-144.4 -71.1 129.5 24.5 -16.3 8.3 43 55 A I - 0 0 46 -2,-0.3 63,-0.3 -3,-0.1 2,-0.2 -0.861 15.9-145.3 -91.8 113.8 24.3 -15.6 12.0 44 56 A F + 0 0 84 -2,-0.7 2,-0.2 61,-0.1 138,-0.0 -0.555 52.1 67.2 -76.5 139.1 24.5 -18.9 13.9 45 57 A G S S- 0 0 11 -2,-0.2 60,-0.1 178,-0.0 -2,-0.1 -0.830 77.6 -60.0 145.2 179.3 22.4 -19.0 17.1 46 58 A G - 0 0 18 -2,-0.2 59,-0.6 1,-0.1 2,-0.4 0.041 64.4 -77.5 -78.6-166.6 19.0 -19.1 18.7 47 59 A T E -E 104 0B 23 57,-0.1 57,-0.2 58,-0.1 2,-0.2 -0.805 39.1-136.4 -99.3 141.3 16.3 -16.3 18.5 48 60 A L E -E 103 0B 18 55,-1.9 55,-3.5 -2,-0.4 2,-0.3 -0.508 14.1-160.9 -82.6 158.7 16.5 -13.1 20.5 49 61 A D E -E 102 0B 30 53,-0.2 2,-0.5 -2,-0.2 263,-0.2 -0.982 11.5-137.0-142.1 141.9 13.5 -11.6 22.2 50 62 A L - 0 0 0 51,-0.6 2,-0.2 -2,-0.3 3,-0.0 -0.823 17.0-140.4-105.2 123.8 13.1 -8.1 23.4 51 63 A H > > - 0 0 65 -2,-0.5 5,-2.5 49,-0.1 3,-0.8 -0.497 23.0-108.4 -80.9 147.1 11.7 -7.3 26.8 52 64 A K T 3 5S+ 0 0 124 47,-0.4 3,-0.2 1,-0.2 -1,-0.1 -0.507 109.3 32.2 -62.4 143.3 9.3 -4.5 27.6 53 65 A G T 3 5S+ 0 0 61 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 -0.187 131.8 23.7 100.5 -40.2 11.3 -2.0 29.6 54 66 A S T X>5S+ 0 0 23 -3,-0.8 4,-2.2 3,-0.1 3,-0.9 0.569 124.0 25.9-121.2 -94.6 14.6 -2.7 28.0 55 67 A G H 3>5S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -3,-0.2 0.906 125.4 49.8 -44.2 -49.5 15.2 -4.2 24.5 56 68 A Q H 3> S+ 0 0 69 -3,-0.9 4,-2.5 -6,-0.5 5,-0.2 0.922 104.0 55.1 -64.4 -41.2 12.6 0.6 24.7 58 70 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.927 112.6 42.1 -50.8 -47.4 15.7 0.5 22.5 59 71 A X H <>S+ 0 0 1 -4,-1.6 5,-3.6 2,-0.2 6,-0.8 0.845 109.2 57.1 -74.7 -35.6 13.4 -0.2 19.5 60 72 A K H ><5S+ 0 0 122 -4,-2.8 3,-0.8 4,-0.2 -1,-0.2 0.931 111.5 44.0 -57.1 -46.4 10.7 2.3 20.5 61 73 A K H 3<5S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 110.5 53.2 -72.3 -30.0 13.3 5.0 20.4 62 74 A A T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.521 114.7-119.8 -82.9 -2.3 14.9 3.8 17.2 63 75 A G T < 5S+ 0 0 59 -3,-0.8 -3,-0.2 -4,-0.4 4,-0.1 0.776 86.6 109.3 71.9 29.5 11.4 4.0 15.8 64 76 A L >< + 0 0 16 -5,-3.6 4,-2.2 -6,-0.1 -4,-0.2 0.271 31.6 103.7-124.0 6.1 11.6 0.3 15.1 65 77 A L H > S+ 0 0 31 -6,-0.8 4,-3.1 1,-0.2 5,-0.2 0.947 84.5 48.2 -58.4 -51.9 9.2 -1.5 17.5 66 78 A Q H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 111.7 50.3 -58.5 -40.6 6.4 -2.1 15.0 67 79 A T H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 110.6 50.8 -66.0 -37.2 8.9 -3.5 12.5 68 80 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 110.0 48.9 -64.5 -47.4 10.3 -5.8 15.3 69 81 A Y H < S+ 0 0 36 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.941 107.7 56.5 -56.5 -46.2 6.8 -7.0 16.2 70 82 A D H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.0 34.1 -50.6 -48.8 6.1 -7.7 12.5 71 83 A L H < S+ 0 0 76 -4,-1.8 33,-0.3 -5,-0.1 -1,-0.2 0.687 104.1 86.6 -88.8 -19.4 9.0 -10.0 12.0 72 84 A A < - 0 0 12 -4,-2.1 31,-0.2 -5,-0.2 30,-0.1 -0.247 64.4-148.3 -76.1 172.0 9.1 -11.5 15.5 73 85 A L B -F 102 0B 74 29,-2.1 29,-2.3 27,-0.1 -3,-0.1 -0.938 12.7-129.2-148.5 112.4 7.0 -14.5 16.4 74 86 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.350 28.7-164.8 -66.9 151.1 5.5 -15.2 19.9 75 87 A X - 0 0 27 25,-0.2 125,-0.1 22,-0.1 124,-0.0 -0.989 15.9-142.7-142.0 127.5 6.3 -18.6 21.3 76 88 A G - 0 0 2 123,-0.4 125,-2.4 -2,-0.4 2,-0.4 -0.303 25.0-137.5 -68.5 166.5 4.9 -20.7 24.1 77 89 A V E -Gh 90 201C 38 13,-2.5 13,-2.5 123,-0.2 2,-0.4 -0.995 11.5-159.5-134.4 134.8 7.3 -22.8 26.1 78 90 A N E -Gh 89 202C 7 123,-2.6 125,-2.1 -2,-0.4 2,-0.5 -0.861 9.9-147.2-102.4 142.1 7.0 -26.3 27.4 79 91 A I E -Gh 88 203C 18 9,-1.8 8,-2.5 -2,-0.4 9,-1.8 -0.941 27.5-178.0-100.2 131.0 9.1 -27.8 30.2 80 92 A A E -Gh 86 204C 2 123,-3.3 125,-0.6 -2,-0.5 6,-0.2 -0.810 18.3-127.9-123.1 166.9 9.7 -31.5 29.5 81 93 A D > - 0 0 0 4,-1.8 3,-1.5 -2,-0.3 177,-0.1 -0.649 40.5 -89.0-108.8 170.7 11.4 -34.3 31.4 82 94 A K T 3 S+ 0 0 20 123,-0.3 176,-2.7 1,-0.3 179,-0.2 0.680 125.8 52.7 -48.0 -20.0 14.1 -36.8 30.3 83 95 A K T 3 S- 0 0 59 174,-0.2 -1,-0.3 2,-0.1 177,-0.2 0.693 119.4 -99.6 -98.2 -20.8 11.2 -39.1 29.2 84 96 A G S < S+ 0 0 10 -3,-1.5 2,-0.4 1,-0.4 -2,-0.1 0.455 73.4 141.1 112.0 4.2 9.2 -36.8 26.9 85 97 A N - 0 0 45 -4,-0.1 -4,-1.8 1369,-0.0 2,-0.8 -0.665 54.6-127.9 -73.6 128.8 6.5 -35.9 29.4 86 98 A I E -G 80 0C 59 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.737 28.2-179.6 -74.2 113.0 5.4 -32.4 29.2 87 99 A L E - 0 0 9 -8,-2.5 2,-0.3 -2,-0.8 -7,-0.2 0.894 66.0 -0.6 -76.9 -45.4 5.7 -31.1 32.7 88 100 A S E -G 79 0C 36 -9,-1.8 -9,-1.8 -3,-0.1 -1,-0.3 -0.946 55.8-165.7-142.3 161.0 4.5 -27.6 32.0 89 101 A T E -G 78 0C 69 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.783 1.3-173.6-154.9 108.5 3.3 -25.5 29.1 90 102 A K E -G 77 0C 155 -13,-2.5 -13,-2.5 -2,-0.2 2,-0.2 -0.906 21.3-161.4 -97.3 121.5 2.9 -21.7 29.0 91 103 A N - 0 0 104 -2,-0.6 2,-0.6 -15,-0.3 -16,-0.1 -0.544 29.5 -88.6 -99.4 164.7 1.3 -20.5 25.8 92 104 A V - 0 0 63 -2,-0.2 5,-0.1 -18,-0.1 -16,-0.1 -0.610 42.2-154.8 -68.2 116.2 1.1 -17.2 24.0 93 105 A K > - 0 0 122 -2,-0.6 3,-1.4 3,-0.2 -3,-0.0 -0.869 21.6-121.9 -93.7 133.6 -2.0 -15.4 25.4 94 106 A P G > S+ 0 0 73 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.781 112.5 48.1 -43.1 -43.6 -3.5 -12.9 23.0 95 107 A E G 3 S+ 0 0 113 1,-0.2 3,-0.3 2,-0.1 -3,-0.0 0.867 114.7 46.3 -68.3 -35.6 -3.1 -10.0 25.4 96 108 A N G < S+ 0 0 86 -3,-1.4 3,-0.4 1,-0.2 4,-0.4 -0.094 77.4 109.5-104.3 34.8 0.5 -11.0 26.2 97 109 A R S X S+ 0 0 129 -3,-0.9 3,-0.9 1,-0.2 -1,-0.2 0.988 77.8 49.8 -60.1 -64.0 1.7 -11.5 22.6 98 110 A F T 3 S+ 0 0 66 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.375 82.5 95.4 -67.6 3.7 3.9 -8.5 22.5 99 111 A D T 3 S- 0 0 48 -3,-0.4 -47,-0.4 1,-0.2 -1,-0.3 0.983 112.1 -23.7 -62.0 -54.5 5.7 -9.2 25.7 100 112 A N < - 0 0 69 -3,-0.9 -25,-0.2 -4,-0.4 -1,-0.2 -0.338 67.8-174.4-160.9 72.5 8.6 -10.9 24.0 101 113 A P - 0 0 6 0, 0.0 -51,-0.6 0, 0.0 2,-0.3 -0.386 33.8-112.7 -63.9 143.3 8.2 -12.4 20.5 102 114 A E E -EF 49 73B 16 -29,-2.3 -29,-2.1 -53,-0.2 2,-0.4 -0.594 33.4-166.6 -85.0 137.3 11.2 -14.4 19.3 103 115 A I E -E 48 0B 2 -55,-3.5 -55,-1.9 -2,-0.3 2,-0.3 -0.956 23.9-112.7-125.3 147.2 13.1 -12.9 16.4 104 116 A N E > -E 47 0B 18 -2,-0.4 4,-2.6 -33,-0.3 3,-0.3 -0.566 25.9-126.6 -77.7 135.6 15.8 -14.5 14.2 105 117 A R H > S+ 0 0 82 -59,-0.6 4,-1.6 -2,-0.3 -1,-0.1 0.838 110.5 47.1 -56.2 -36.1 19.2 -12.9 14.6 106 118 A N H > S+ 0 0 42 -63,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.892 109.6 53.3 -69.0 -39.9 19.5 -12.3 10.9 107 119 A D H > S+ 0 0 39 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.916 107.8 51.2 -62.2 -44.9 16.0 -10.8 10.7 108 120 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.912 109.0 50.1 -58.6 -44.0 16.8 -8.4 13.4 109 121 A R H X S+ 0 0 13 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.833 107.3 55.7 -63.8 -33.2 20.0 -7.2 11.7 110 122 A A H X S+ 0 0 53 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.905 109.4 46.8 -61.9 -42.3 18.0 -6.7 8.5 111 123 A I H X S+ 0 0 10 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.971 117.4 40.7 -65.3 -54.6 15.7 -4.4 10.5 112 124 A L H >X S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.6 0.962 114.5 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58.5 63.8 -80.9 16.2 -46.9 -53.3 57.0 697 343 B F S S- 0 0 42 -6,-0.1 -325,-0.1 1,-0.1 3,-0.0 -0.987 70.5-144.6-139.8 148.2 -43.5 -53.3 55.4 698 344 B N S S+ 0 0 155 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.527 85.9 24.3 -90.8 -6.0 -40.8 -56.0 55.1 699 345 B S S > S- 0 0 37 1,-0.2 4,-1.6 0, 0.0 -327,-0.1 -0.972 73.7-118.3-149.9 162.1 -38.0 -53.5 55.4 700 346 B I H > S+ 0 0 12 -2,-0.3 4,-2.3 2,-0.2 5,-0.4 0.984 113.1 58.2 -63.6 -56.3 -37.1 -50.1 56.8 701 347 B E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.787 106.2 50.6 -43.6 -38.4 -36.3 -48.7 53.3 702 348 B E H > S+ 0 0 54 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.974 109.2 49.2 -64.3 -56.3 -39.8 -49.6 52.2 703 349 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.904 117.0 40.7 -51.5 -49.8 -41.5 -47.9 55.2 704 350 B V H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.939 111.3 58.1 -66.1 -43.9 -39.5 -44.6 54.7 705 351 B K H X S+ 0 0 107 -4,-2.2 4,-0.6 -5,-0.4 -2,-0.2 0.906 110.8 44.1 -46.2 -48.0 -39.9 -45.0 51.0 706 352 B N H >X S+ 0 0 40 -4,-2.9 4,-2.1 2,-0.2 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99 -4,-2.3 3,-0.8 -5,-0.1 5,-0.2 0.985 111.1 36.4 -49.2 -75.7 -50.8 -12.5 47.4 729 375 B X T 3< S+ 0 0 15 -4,-1.7 -132,-0.1 1,-0.2 5,-0.1 -0.339 103.8 56.7 -70.4 165.6 -49.7 -10.2 50.3 730 376 B F T 3 S+ 0 0 7 1,-0.5 -1,-0.2 -134,-0.1 -132,-0.2 0.354 74.5 123.9 79.9 -8.0 -46.4 -8.4 49.7 731 377 B K S < S- 0 0 124 -3,-0.8 -153,-0.8 2,-0.1 -1,-0.5 -0.794 81.9-120.0 -71.4 121.7 -48.1 -7.1 46.7 732 378 B P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -155,-0.1 0.520 106.6 49.1 -54.9 0.7 -47.6 -3.4 47.5 733 379 B D S S+ 0 0 139 -5,-0.2 2,-0.3 -156,-0.2 -2,-0.1 -0.977 77.5 123.3-136.5 129.4 -51.4 -3.5 47.4 734 380 B F - 0 0 33 -2,-0.3 2,-0.3 -159,-0.1 -157,-0.2 -0.940 27.4-170.2-175.8 156.3 -53.4 -6.2 49.2 735 381 B T 0 0 111 -2,-0.3 -159,-0.0 -159,-0.1 -2,-0.0 -0.978 360.0 360.0-156.7 151.5 -56.2 -6.6 51.8 736 382 B F 0 0 113 -2,-0.3 -287,-0.0 -161,-0.1 -2,-0.0 -0.361 360.0 360.0 -76.2 360.0 -57.6 -9.5 53.7 737 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 738 12 C N 0 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