==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 01-SEP-10 2XQA . COMPND 2 MOLECULE: GLR4197 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLOEOBACTER VIOLACEUS PCC 7421; . AUTHOR R.J.C.HILF,C.BERTOZZI,I.ZIMMERMANN,A.REITER,D.TRAUNER,R.DUTZ . 1550 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1171 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 304 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 195 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 375 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.9 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 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 3 2 5 0 0 0 0 0 0 5 RESIDUES PER ALPHA HELIX . 0 0 0 0 5 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 . 15 5 0 3 0 7 5 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 0 5 5 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 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 7 A P 0 0 122 0, 0.0 64,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 74.3 28.8 -12.3 95.2 2 8 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 64,-0.0 -0.250 360.0 -86.3 -76.1 154.5 25.3 -13.8 94.6 3 9 A P - 0 0 5 0, 0.0 2,-1.3 0, 0.0 6,-0.1 -0.374 36.4-123.4 -73.0 123.8 22.5 -13.9 97.2 4 10 A I + 0 0 125 -2,-0.2 39,-0.1 -3,-0.1 126,-0.0 -0.462 46.1 173.3 -68.8 92.9 22.5 -16.9 99.5 5 11 A A - 0 0 31 -2,-1.3 37,-0.0 1,-0.1 -1,-0.0 -0.080 41.4-137.0 -87.8-170.8 19.0 -18.2 98.8 6 12 A D S S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.1 0.344 89.4 7.7-123.3 -10.8 17.3 -21.5 100.0 7 13 A E S S- 0 0 150 124,-0.1 -1,-0.3 3,-0.0 2,-0.1 -0.931 112.2 -40.1-152.6 178.0 15.8 -22.0 96.5 8 14 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 124,-0.2 -0.260 64.1-128.3 -46.0 109.6 15.9 -20.7 92.9 9 15 A L E -a 132 0A 12 122,-1.1 124,-1.2 -6,-0.1 2,-0.3 -0.519 19.1-139.1 -65.2 118.2 16.0 -16.9 93.3 10 16 A T E -a 133 0A 58 -2,-0.4 2,-0.5 122,-0.2 31,-0.4 -0.585 11.2-157.0 -76.7 138.7 13.3 -15.3 91.2 11 17 A V E -a 134 0A 0 122,-1.7 124,-1.6 -2,-0.3 2,-0.6 -0.987 12.1-139.9-117.1 124.0 14.2 -12.1 89.4 12 18 A N E -a 135 0A 47 27,-2.6 124,-0.2 -2,-0.5 27,-0.2 -0.750 23.7-170.5 -92.9 117.8 11.3 -9.8 88.5 13 19 A T E +a 136 0A 1 122,-3.2 124,-3.0 -2,-0.6 127,-0.2 -0.369 13.3 165.9-101.4 175.2 11.5 -8.2 85.0 14 20 A G - 0 0 0 122,-0.2 23,-3.7 -2,-0.1 2,-0.5 -0.570 18.6-149.7 169.4 123.1 9.6 -5.5 83.1 15 21 A I E -B 36 0B 0 21,-0.2 128,-0.7 -2,-0.2 2,-0.7 -0.898 2.5-165.7-111.4 125.9 10.1 -3.4 79.9 16 22 A Y E -B 35 0B 23 19,-1.8 19,-2.1 -2,-0.5 128,-0.2 -0.774 19.1-143.8-107.7 89.8 8.8 0.1 79.4 17 23 A L E +B 34 0B 0 -2,-0.7 128,-0.8 126,-0.4 17,-0.3 -0.240 27.5 168.5 -45.1 121.2 9.0 1.0 75.6 18 24 A I E + 0 0 6 15,-2.6 2,-0.3 1,-0.4 16,-0.2 0.762 67.0 14.5-105.4 -43.6 9.9 4.6 75.4 19 25 A E E -B 33 0B 13 14,-3.1 14,-1.8 129,-0.1 -1,-0.4 -0.969 57.5-174.1-132.7 148.7 10.7 4.7 71.8 20 26 A C E +B 32 0B 0 -2,-0.3 130,-2.0 127,-0.2 129,-0.3 -0.992 28.8 123.1-134.7 145.1 10.2 2.5 68.7 21 27 A Y E +B 31 0B 2 10,-1.9 10,-2.0 -2,-0.3 3,-0.2 -0.982 34.6 55.1-176.9-178.0 11.6 3.1 65.3 22 28 A S E - 0 0 28 316,-0.4 2,-0.8 -2,-0.3 7,-0.1 0.794 53.0-173.7 32.0 53.7 13.6 2.1 62.2 23 29 A L E - 0 0 21 7,-0.2 2,-0.9 128,-0.2 7,-0.3 -0.645 11.8-154.7 -68.3 109.0 11.8 -1.2 61.5 24 30 A D E >> -B 29 0B 70 5,-2.9 4,-2.5 -2,-0.8 5,-1.3 -0.791 15.2-172.5 -99.1 99.1 14.0 -2.5 58.7 25 31 A D T 45S+ 0 0 26 -2,-0.9 -1,-0.2 1,-0.2 82,-0.1 0.869 87.7 47.2 -56.0 -47.4 12.0 -4.9 56.5 26 32 A K T 45S+ 0 0 114 1,-0.2 -1,-0.2 213,-0.1 215,-0.2 0.943 120.6 39.0 -56.7 -48.4 15.0 -6.0 54.4 27 33 A A T 45S- 0 0 26 2,-0.1 -2,-0.2 213,-0.1 -1,-0.2 0.727 99.8-134.9 -77.2 -26.3 17.1 -6.5 57.5 28 34 A E T <5 + 0 0 16 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.913 67.5 106.1 65.3 47.3 14.3 -8.0 59.7 29 35 A T E < -B 24 0B 3 -5,-1.3 -5,-2.9 75,-0.2 2,-0.3 -0.938 47.4-165.5-143.2 166.1 15.2 -5.9 62.6 30 36 A F E - C 0 103B 2 73,-1.8 73,-2.3 -2,-0.3 2,-0.4 -0.983 21.3-121.2-150.7 157.9 13.9 -2.9 64.5 31 37 A K E -BC 21 102B 51 -10,-2.0 -10,-1.9 -2,-0.3 2,-0.4 -0.853 27.6-176.4-104.0 136.1 15.4 -0.5 67.0 32 38 A V E -BC 20 101B 0 69,-1.7 69,-1.9 -2,-0.4 2,-0.4 -0.998 15.4-166.5-131.7 138.3 13.8 0.0 70.5 33 39 A N E +BC 19 100B 3 -14,-1.8 -14,-3.1 -2,-0.4 -15,-2.6 -0.980 36.3 137.1-115.5 132.3 14.7 2.3 73.4 34 40 A A E -BC 17 99B 0 65,-2.7 65,-0.6 -2,-0.4 -17,-0.3 -0.987 51.2 -86.1-169.2 164.7 12.9 1.3 76.7 35 41 A F E -BC 16 98B 1 -19,-2.1 -19,-1.8 -2,-0.3 2,-0.5 -0.608 27.8-156.5 -84.3 143.0 13.0 0.8 80.4 36 42 A L E -BC 15 97B 0 61,-2.6 61,-1.7 -2,-0.2 2,-0.5 -0.939 10.2-166.2-123.8 111.7 14.2 -2.5 82.0 37 43 A S E + C 0 96B 9 -23,-3.7 2,-0.3 -2,-0.5 59,-0.2 -0.836 11.1 173.2-103.4 123.9 12.9 -3.1 85.5 38 44 A L E + C 0 95B 4 57,-2.1 57,-2.3 -2,-0.5 2,-0.3 -0.844 2.8 172.7-124.4 159.8 14.4 -5.8 87.7 39 45 A S E + C 0 94B 20 -2,-0.3 -27,-2.6 55,-0.2 2,-0.3 -0.974 3.1 160.9-164.2 154.6 14.0 -7.0 91.3 40 46 A W E - C 0 93B 5 53,-1.0 53,-2.8 -2,-0.3 2,-0.9 -0.951 41.8-100.8-171.5 150.6 15.0 -9.7 93.8 41 47 A K E + C 0 92B 114 -31,-0.4 2,-0.5 -2,-0.3 51,-0.3 -0.705 33.6 170.5 -83.1 105.8 15.3 -10.7 97.5 42 48 A D > - 0 0 1 49,-3.6 3,-2.9 -2,-0.9 -1,-0.1 -0.653 7.8-178.9-107.5 66.0 18.9 -10.3 98.5 43 49 A R G > + 0 0 116 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.699 68.2 85.4 -41.3 -22.1 18.1 -10.8 102.2 44 50 A R G 3 S+ 0 0 101 1,-0.3 -1,-0.3 47,-0.2 47,-0.1 0.627 92.2 40.5 -57.3 -22.6 21.8 -10.3 102.6 45 51 A L G < S+ 0 0 26 -3,-2.9 46,-0.3 46,-0.2 -1,-0.3 -0.194 77.4 143.0-128.2 42.9 21.4 -6.6 102.7 46 52 A A < - 0 0 55 -3,-1.7 44,-0.2 44,-0.2 42,-0.0 -0.400 34.9-155.8 -68.0 158.8 18.3 -6.1 104.8 47 53 A F - 0 0 26 42,-1.0 5,-0.3 -2,-0.1 43,-0.1 -0.157 23.5-110.9-159.3 61.5 18.6 -3.1 107.0 48 54 A D > - 0 0 78 41,-0.1 4,-1.5 3,-0.1 42,-0.0 0.665 31.0-151.5 33.9 68.6 17.0 -2.2 110.3 49 55 A P T >4 S+ 0 0 72 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.854 91.4 32.1 -36.0 -65.4 14.7 0.7 109.1 50 56 A V T 34 S+ 0 0 136 1,-0.2 -2,-0.1 5,-0.0 5,-0.0 0.944 110.0 67.1 -60.9 -50.7 14.7 2.6 112.4 51 57 A R T 34 S- 0 0 212 3,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.712 115.7 -1.2 -48.2 -32.9 18.2 1.6 113.5 52 58 A S S << S- 0 0 65 -4,-1.5 -5,-0.0 -3,-0.6 -1,-0.0 -0.966 106.9 -19.1-151.9 168.7 19.9 3.6 110.8 53 59 A G S S- 0 0 74 -2,-0.3 2,-0.2 2,-0.0 4,-0.1 0.167 84.1 -59.2 35.0-131.4 19.3 5.8 107.7 54 60 A V - 0 0 102 2,-0.1 -2,-0.1 -3,-0.0 3,-0.1 -0.562 61.5 -56.6-137.9-169.6 15.9 5.8 106.1 55 61 A R S S+ 0 0 222 -2,-0.2 2,-0.3 1,-0.2 -5,-0.0 0.857 115.3 6.4 -43.3 -53.0 13.0 4.0 104.2 56 62 A V S S- 0 0 44 32,-0.1 2,-0.5 33,-0.0 32,-0.2 -0.998 70.4-133.2-142.5 141.5 15.2 2.7 101.4 57 63 A K E -F 87 0C 106 30,-1.5 30,-1.8 -2,-0.3 2,-0.5 -0.842 15.9-140.3-104.6 125.8 19.0 2.8 100.7 58 64 A T E -F 86 0C 42 -2,-0.5 2,-0.3 28,-0.2 28,-0.2 -0.693 23.4-174.3 -86.0 123.8 20.4 3.8 97.2 59 65 A Y - 0 0 66 26,-1.2 26,-0.3 -2,-0.5 -1,-0.0 -0.762 23.9-125.8-111.7 160.4 23.4 1.7 95.9 60 66 A E >> - 0 0 116 -2,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.798 37.5-107.9 -98.1 149.1 25.7 2.0 92.9 61 67 A P T 34 S+ 0 0 38 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.714 116.1 63.8 -48.5 -31.5 26.0 -1.2 90.7 62 68 A E T 34 S+ 0 0 157 1,-0.1 4,-0.1 3,-0.1 -3,-0.0 0.886 103.1 49.9 -62.9 -38.8 29.5 -1.9 92.0 63 69 A A T <4 S+ 0 0 64 -3,-1.5 -1,-0.1 2,-0.1 3,-0.0 0.996 104.8 53.6 -64.0 -68.7 28.2 -2.4 95.5 64 70 A I S < S- 0 0 13 -4,-0.9 2,-0.6 1,-0.1 0, 0.0 -0.141 87.5-109.6 -66.6 157.8 25.2 -4.9 95.1 65 71 A W - 0 0 38 -64,-0.2 -1,-0.1 -23,-0.0 -3,-0.1 -0.836 42.7-166.3 -81.2 125.7 25.2 -8.2 93.4 66 72 A I - 0 0 39 -2,-0.6 2,-0.2 -5,-0.1 0, 0.0 -0.955 20.1-115.2-122.1 139.0 23.2 -7.7 90.2 67 73 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 -0.476 27.3-121.9 -74.3 132.0 21.8 -10.4 87.9 68 74 A E - 0 0 118 -2,-0.2 2,-0.8 58,-0.2 58,-0.4 -0.636 31.4-175.4 -76.1 104.4 23.2 -10.5 84.4 69 75 A I - 0 0 12 -2,-0.9 2,-0.3 56,-0.1 56,-0.2 -0.802 4.6-175.9-106.1 92.5 20.2 -10.0 82.1 70 76 A R B -G 124 0D 27 -2,-0.8 54,-1.4 54,-0.6 2,-0.3 -0.671 25.9-124.2 -90.3 138.6 21.4 -10.4 78.5 71 77 A F - 0 0 1 -2,-0.3 3,-0.4 52,-0.2 7,-0.1 -0.685 20.1-148.9 -79.6 136.0 18.9 -9.8 75.6 72 78 A V S S+ 0 0 14 -2,-0.3 2,-1.4 1,-0.2 -1,-0.1 0.987 81.7 40.3 -75.6 -63.8 18.8 -12.9 73.3 73 79 A N S S+ 0 0 8 47,-0.0 31,-2.7 1190,-0.0 2,-0.4 -0.520 84.1 125.6 -90.5 70.2 18.1 -11.7 69.8 74 80 A V B -D 103 0B 2 -2,-1.4 29,-0.2 -3,-0.4 4,-0.1 -0.982 57.7-139.1-130.8 143.9 20.2 -8.6 69.5 75 81 A E S S+ 0 0 18 27,-1.6 2,-0.2 -2,-0.4 -1,-0.2 0.981 84.4 5.2 -59.4 -58.5 22.9 -7.6 67.0 76 82 A N S S- 0 0 78 26,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.688 103.8 -54.5-122.7 173.9 25.2 -6.0 69.6 77 83 A A S S- 0 0 41 -2,-0.2 -1,-0.1 1246,-0.2 -2,-0.1 -0.297 70.5-106.2 -46.7 109.4 25.7 -5.5 73.3 78 84 A R - 0 0 47 -2,-0.2 2,-1.2 -7,-0.1 23,-0.2 -0.155 32.7-129.4 -37.5 127.2 22.5 -3.9 74.4 79 85 A D E +E 100 0B 75 21,-1.0 21,-0.6 -3,-0.1 2,-0.3 -0.616 43.9 157.7-100.2 85.7 23.3 -0.2 75.0 80 86 A A E -E 99 0B 32 -2,-1.2 2,-0.3 19,-0.2 19,-0.2 -0.825 31.1-159.4-118.5 142.8 22.0 0.8 78.4 81 87 A D E -E 98 0B 91 17,-0.5 17,-2.4 -2,-0.3 2,-0.3 -0.856 32.7-114.2-106.9 149.1 22.6 3.4 81.2 82 88 A V E -E 97 0B 50 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.630 27.4-176.9 -88.7 145.3 21.4 2.8 84.8 83 89 A V E - 0 0 8 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.839 58.3 -14.6-109.4 -45.3 18.7 4.8 86.4 84 90 A D E -E 96 0B 16 12,-1.5 12,-1.5 355,-0.0 2,-0.4 -0.964 41.1-163.5-164.2 138.2 18.1 3.9 90.0 85 91 A I E +E 95 0B 3 -2,-0.3 -26,-1.2 -26,-0.3 2,-0.4 -0.978 19.0 175.9-127.7 119.8 19.0 1.0 92.4 86 92 A S E -F 58 0C 8 8,-2.2 2,-0.4 -2,-0.4 -28,-0.2 -0.822 14.9-157.1-135.3 95.9 16.8 1.0 95.6 87 93 A V E -F 57 0C 0 -30,-1.8 -30,-1.5 -2,-0.4 6,-0.3 -0.553 14.1-144.5 -76.5 121.2 17.1 -1.8 98.2 88 94 A S > - 0 0 35 4,-4.9 3,-1.4 -2,-0.4 -32,-0.1 -0.293 28.3-100.0 -74.5 164.9 14.1 -2.3 100.4 89 95 A P T 3 S+ 0 0 42 0, 0.0 -42,-1.0 0, 0.0 -41,-0.1 0.932 118.2 57.7 -49.4 -57.8 14.3 -3.3 104.1 90 96 A D T 3 S- 0 0 97 -44,-0.2 -44,-0.2 1,-0.2 -45,-0.1 0.478 130.8 -91.0 -61.9 2.9 13.6 -7.0 103.7 91 97 A G S < S+ 0 0 0 -3,-1.4 -49,-3.6 -46,-0.3 2,-0.6 0.568 79.4 151.3 97.2 13.5 16.6 -7.2 101.4 92 98 A T E -C 41 0B 39 -51,-0.3 -4,-4.9 -49,-0.1 2,-0.3 -0.686 33.3-149.3 -82.9 117.2 14.4 -6.5 98.3 93 99 A V E -C 40 0B 0 -53,-2.8 -53,-1.0 -2,-0.6 2,-0.5 -0.662 5.3-156.6 -94.0 141.6 16.4 -4.7 95.5 94 100 A Q E -C 39 0B 90 -2,-0.3 -8,-2.2 -55,-0.2 2,-0.3 -0.891 17.3-178.7-120.9 102.6 14.8 -2.3 93.0 95 101 A Y E +CE 38 85B 29 -57,-2.3 -57,-2.1 -2,-0.5 2,-0.3 -0.779 7.2 174.1-109.0 140.7 16.7 -2.0 89.7 96 102 A L E +CE 37 84B 9 -12,-1.5 -13,-3.2 -2,-0.3 -12,-1.5 -0.955 2.9 166.8-147.8 126.6 15.9 0.2 86.7 97 103 A E E -CE 36 82B 10 -61,-1.7 -61,-2.6 -2,-0.3 2,-0.3 -0.820 28.3-136.7-129.4 171.4 17.8 0.9 83.4 98 104 A R E -CE 35 81B 21 -17,-2.4 -17,-0.5 -2,-0.3 -63,-0.2 -0.611 30.1-177.4-135.6 78.3 17.1 2.5 80.1 99 105 A F E -CE 34 80B 1 -65,-0.6 -65,-2.7 -2,-0.3 2,-0.4 -0.217 18.4-163.3 -78.4 161.2 18.5 0.5 77.2 100 106 A S E +CE 33 79B 5 -21,-0.6 -21,-1.0 -67,-0.2 2,-0.3 -0.892 28.2 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S+ 0 0 8 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.732 111.3 61.9 -67.0 -21.4 37.7 3.0 28.4 1182 255 D G H 34 S+ 0 0 7 2,-0.2 4,-0.4 3,-0.2 -1,-0.3 0.772 108.1 47.0 -70.4 -25.8 36.6 6.6 28.9 1183 256 D A H X> S+ 0 0 11 -3,-1.2 4,-4.3 -4,-0.4 3,-1.4 0.980 115.7 38.5 -74.6 -70.2 38.3 7.1 25.5 1184 257 D I H 3X S+ 0 0 12 -4,-2.0 4,-1.2 1,-0.3 -2,-0.2 0.793 116.6 54.9 -56.4 -30.1 36.9 4.2 23.5 1185 258 D I H 3X S+ 0 0 5 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.3 0.758 116.7 37.3 -71.2 -27.8 33.5 4.9 25.3 1186 259 D F H <> S+ 0 0 48 -3,-1.4 4,-1.0 -4,-0.4 3,-0.3 0.875 111.1 57.0 -86.2 -46.3 33.7 8.4 24.1 1187 260 D M H X S+ 0 0 17 -4,-4.3 4,-0.9 1,-0.3 3,-0.4 0.828 104.6 59.1 -50.9 -31.6 35.2 7.6 20.7 1188 261 D I H >X S+ 0 0 0 -4,-1.2 3,-1.0 -5,-0.4 4,-0.7 0.959 90.0 65.7 -61.6 -52.5 32.1 5.5 20.4 1189 262 D Y H >X S+ 0 0 4 -4,-0.8 4,-1.1 -3,-0.3 3,-1.0 0.834 100.4 55.4 -39.6 -38.1 29.7 8.4 20.8 1190 263 D L H 3X S+ 0 0 56 -4,-1.0 4,-2.6 -3,-0.4 5,-0.4 0.884 97.3 57.1 -67.2 -45.3 31.1 9.7 17.5 1191 264 D F H << 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0 0 102 -4,-1.3 -2,-0.1 1,-0.2 -3,-0.1 0.347 122.9 45.5 -60.6 8.4 17.3 14.5 2.2 1205 278 D L T 34>S+ 0 0 26 -4,-0.3 9,-0.6 -5,-0.1 5,-0.5 0.327 113.0 45.3-128.4 -7.4 19.3 13.0 -0.7 1206 279 D K T <45S+ 0 0 69 -3,-1.5 -2,-0.2 3,-0.1 -3,-0.1 0.563 115.6 46.0-108.2 -22.3 16.9 10.1 -1.5 1207 280 D V T <5S+ 0 0 75 -4,-2.9 2,-0.7 2,-0.1 -3,-0.2 0.786 100.4 72.4 -84.6 -35.6 13.8 12.3 -1.3 1208 281 D E T 5S- 0 0 91 -5,-0.5 2,-3.3 1,-0.1 0, 0.0 -0.769 117.5-109.5 -67.3 117.8 15.7 14.8 -3.4 1209 282 D S T 5S+ 0 0 124 -2,-0.7 -3,-0.1 1,-0.2 -2,-0.1 -0.245 93.9 107.1 -65.7 74.7 15.4 12.5 -6.4 1210 283 D Q >>< + 0 0 76 -2,-3.3 3,-1.6 -5,-0.5 4,-1.3 -0.191 21.5 145.9-143.4 39.0 19.1 11.7 -6.4 1211 284 D P H 3> + 0 0 64 0, 0.0 4,-1.4 0, 0.0 -5,-0.1 0.625 64.5 84.2 -58.0 -10.7 19.1 8.0 -5.0 1212 285 D A H 34 S+ 0 0 85 2,-0.1 -6,-0.1 1,-0.1 -2,-0.1 0.991 102.5 27.4 -43.6 -63.6 22.0 7.9 -7.4 1213 286 D R H X> S+ 0 0 144 -3,-1.6 3,-3.2 -8,-0.2 4,-2.5 0.943 115.4 60.0 -68.1 -54.9 24.1 9.4 -4.5 1214 287 D A H 3X S+ 0 0 0 -4,-1.3 4,-2.8 -9,-0.6 5,-0.3 0.903 107.6 45.2 -45.0 -58.9 22.2 8.1 -1.4 1215 288 D A H 3< S+ 0 0 66 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.447 112.4 56.2 -71.1 2.6 22.7 4.5 -2.3 1216 289 D S H <> S+ 0 0 75 -3,-3.2 4,-1.6 3,-0.1 -2,-0.2 0.830 111.4 40.0 -91.9 -50.0 26.3 5.4 -3.0 1217 290 D I H X S+ 0 0 61 -4,-2.5 4,-2.4 2,-0.2 3,-0.5 0.960 116.1 49.3 -57.7 -56.4 27.0 6.9 0.4 1218 291 D T H X S+ 0 0 6 -4,-2.8 4,-0.9 1,-0.3 -1,-0.2 0.883 110.1 53.5 -54.3 -40.4 25.0 4.2 2.3 1219 292 D R H 4 S+ 0 0 158 -5,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.870 111.1 47.5 -60.0 -39.0 26.9 1.6 0.3 1220 293 D A H >X S+ 0 0 55 -4,-1.6 3,-2.9 -3,-0.5 4,-2.0 0.931 100.2 61.5 -68.4 -49.7 30.2 3.3 1.4 1221 294 D S H 3X S+ 0 0 10 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.741 88.2 75.6 -55.3 -24.8 29.5 3.6 5.2 1222 295 D R H 3< S+ 0 0 28 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.547 115.5 19.7 -63.9 -8.4 29.3 -0.2 5.3 1223 296 D I H <> S+ 0 0 112 -3,-2.9 4,-2.3 3,-0.1 5,-0.3 0.607 118.3 61.5-122.2 -52.0 33.1 -0.0 5.0 1224 297 D A H X S+ 0 0 42 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.897 107.1 46.9 -42.0 -55.1 34.1 3.5 6.1 1225 298 D F H X S+ 0 0 29 -4,-1.6 4,-1.8 1,-0.2 5,-0.2 0.977 112.7 41.1 -60.4 -67.8 32.7 3.1 9.6 1226 299 D P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.839 118.8 49.8 -52.9 -37.8 33.9 -0.3 10.8 1227 300 D V H X S+ 0 0 65 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.973 109.4 46.8 -66.1 -56.0 37.3 0.4 9.3 1228 301 D V H X S+ 0 0 72 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.736 115.0 51.7 -59.5 -21.3 37.9 3.8 10.8 1229 302 D F H X S+ 0 0 19 -4,-1.8 4,-1.7 -5,-0.2 5,-0.3 0.956 111.2 42.7 -75.9 -57.1 36.8 2.3 14.0 1230 303 D L H X S+ 0 0 108 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.805 119.6 48.5 -58.4 -27.9 39.2 -0.6 13.9 1231 304 D L H X S+ 0 0 93 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.930 111.4 46.2 -74.8 -49.9 41.7 2.0 12.8 1232 305 D A H X S+ 0 0 25 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.582 112.8 52.2 -70.0 -13.3 40.9 4.5 15.5 1233 306 D N H X S+ 0 0 38 -4,-1.7 4,-3.2 2,-0.2 5,-0.4 0.811 110.3 46.1 -88.4 -38.6 41.0 1.7 18.1 1234 307 D I H X S+ 0 0 104 -4,-1.3 4,-1.0 -5,-0.3 -2,-0.2 0.800 118.0 46.2 -68.3 -29.4 44.4 0.6 16.9 1235 308 D I H X S+ 0 0 90 -4,-1.9 4,-1.7 2,-0.1 -2,-0.2 0.958 121.5 35.3 -73.1 -53.9 45.2 4.2 17.0 1236 309 D L H >X S+ 0 0 37 -4,-2.0 4,-0.9 2,-0.2 3,-0.5 0.983 117.0 51.6 -62.4 -61.7 43.7 4.8 20.4 1237 310 D A H >X>S+ 0 0 31 -4,-3.2 4,-2.4 1,-0.3 3,-1.4 0.907 114.9 44.1 -43.2 -51.6 44.6 1.4 21.9 1238 311 D F H 3<>S+ 0 0 128 -4,-1.0 5,-0.6 -5,-0.4 -1,-0.3 0.836 104.4 63.8 -65.6 -32.4 48.2 2.0 20.9 1239 312 D L H <<5S+ 0 0 98 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.684 115.0 31.8 -64.8 -16.5 48.1 5.6 22.1 1240 313 D F H <<5S+ 0 0 47 -3,-1.4 -2,-0.2 -4,-0.9 -1,-0.2 0.793 133.2 21.2-108.7 -47.1 47.6 4.2 25.6 1241 314 D F T <5S+ 0 0 77 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.873 119.8 54.8 -93.4 -47.0 49.4 0.9 26.0 1242 315 D G T < 0 0 51 -5,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.648 360.0 360.0 -65.4 -16.4 52.0 1.0 23.2 1243 316 D F < 0 0 203 -5,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.544 360.0 360.0-118.8 360.0 53.4 4.3 24.4 1244 !* 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