==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-AUG-00 1FP6 . COMPND 2 MOLECULE: NITROGENASE IRON PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR S.B.JANG,L.C.SEEFELDT,J.W.PETERS . 1148 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 824 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 155 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.1 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 . 2 0.2 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 . 108 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 15 0 4 2 3 0 4 0 8 1 5 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 11 2 8 3 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 4 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 1 A A 0 0 141 0, 0.0 2,-0.3 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 -72.8 23.7 -3.9 55.4 2 2 A M - 0 0 64 119,-0.1 2,-0.5 1,-0.1 119,-0.2 -0.430 360.0-161.8 -71.6 125.6 22.2 -3.4 51.9 3 3 A R E -a 121 0A 54 117,-2.5 119,-1.8 -2,-0.3 2,-0.6 -0.920 7.1-152.8-111.0 121.5 23.7 -0.5 49.9 4 4 A Q E +a 122 0A 31 -2,-0.5 142,-1.6 117,-0.2 141,-1.0 -0.833 24.2 173.1 -97.2 122.9 22.0 1.1 46.9 5 5 A C E -ab 123 146A 0 117,-3.0 119,-2.2 -2,-0.6 2,-0.3 -0.766 16.9-152.3-121.8 166.9 24.4 2.7 44.5 6 6 A A E -ab 124 147A 0 140,-2.3 142,-2.7 117,-0.2 2,-0.7 -0.976 8.5-149.3-151.7 133.0 24.3 4.3 41.1 7 7 A I E +ab 125 148A 0 117,-3.0 119,-1.8 -2,-0.3 2,-0.2 -0.888 28.2 174.8-104.8 107.1 26.6 4.8 38.2 8 8 A Y E +ab 126 149A 0 140,-1.9 142,-2.5 -2,-0.7 2,-0.3 -0.617 13.2 113.0-103.9 166.4 25.9 8.0 36.3 9 9 A G E -ab 127 150A 0 117,-0.6 119,-1.5 -2,-0.2 120,-0.3 -0.883 57.1 -45.8 154.9 176.2 27.7 9.7 33.4 10 10 A K S > S- 0 0 8 140,-0.6 3,-1.2 -2,-0.3 5,-0.3 -0.082 70.4 -79.8 -64.2 162.7 27.9 10.8 29.8 11 11 A G T 3 S+ 0 0 7 1,-0.2 -1,-0.1 2,-0.1 435,-0.0 -0.539 112.0 2.9 -73.0 131.3 26.9 8.6 26.8 12 12 A G T 3 S+ 0 0 47 -2,-0.3 -1,-0.2 -3,-0.1 434,-0.1 0.581 89.3 121.1 73.7 13.3 29.6 6.1 25.8 13 13 A I S < S- 0 0 2 -3,-1.2 -2,-0.1 137,-0.1 138,-0.1 0.756 90.1 -91.5 -78.5 -24.0 32.1 7.0 28.6 14 14 A G S > S+ 0 0 16 -4,-0.3 4,-2.4 136,-0.1 5,-0.2 0.595 78.5 136.0 129.9 20.1 32.1 3.4 30.0 15 15 A K H > S+ 0 0 9 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.815 77.0 48.0 -74.6 -25.4 29.5 3.0 32.7 16 16 A S H > S+ 0 0 23 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.888 114.8 46.4 -76.3 -35.5 28.0 -0.4 31.5 17 17 A T H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.941 118.8 43.0 -65.3 -42.7 31.5 -1.9 31.2 18 18 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.921 115.9 46.2 -71.1 -44.8 32.4 -0.5 34.6 19 19 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.944 115.7 45.4 -66.2 -48.3 29.2 -1.4 36.4 20 20 A Q H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.854 117.5 44.3 -63.6 -36.6 29.1 -5.0 35.0 21 21 A N H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.873 115.4 45.7 -76.0 -39.3 32.8 -5.6 35.7 22 22 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.943 115.7 48.6 -67.9 -42.5 32.7 -4.0 39.2 23 23 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.891 109.4 51.3 -62.4 -41.6 29.5 -5.9 40.0 24 24 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.833 109.2 52.3 -63.7 -31.1 31.0 -9.2 38.7 25 25 A A H X S+ 0 0 1 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.851 107.6 50.7 -72.5 -35.4 34.0 -8.5 41.0 26 26 A L H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.3 0.791 106.0 58.1 -69.6 -27.8 31.6 -8.1 43.9 27 27 A A H ><5S+ 0 0 13 -4,-1.5 3,-1.9 1,-0.2 -2,-0.2 0.959 106.0 46.2 -67.7 -48.6 30.0 -11.4 42.9 28 28 A E H 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.612 105.8 61.9 -72.5 -6.5 33.4 -13.2 43.3 29 29 A M T 3<5S- 0 0 66 -4,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.545 125.3-105.3 -85.1 -10.7 33.8 -11.4 46.6 30 30 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.505 75.5 138.2 99.6 6.7 30.6 -13.2 47.8 31 31 A K < - 0 0 56 -5,-2.5 2,-0.6 -6,-0.1 -1,-0.3 -0.639 50.8-136.1 -87.1 139.0 28.2 -10.2 47.5 32 32 A K - 0 0 58 86,-0.3 88,-2.9 -2,-0.3 89,-1.8 -0.849 34.3-179.4 -96.2 119.5 24.7 -10.7 46.1 33 33 A V E -c 121 0A 2 -2,-0.6 51,-2.2 87,-0.2 2,-0.4 -0.859 23.0-154.5-123.6 153.7 24.1 -7.8 43.7 34 34 A M E -cd 122 84A 0 87,-1.4 89,-2.8 -2,-0.3 2,-0.5 -1.000 8.9-154.7-125.0 129.5 21.3 -6.5 41.4 35 35 A I E -cd 123 85A 0 49,-2.4 51,-2.0 -2,-0.4 2,-0.6 -0.894 6.4-167.2 -98.7 129.7 21.9 -4.3 38.3 36 36 A V E -cd 124 86A 0 87,-2.2 89,-2.1 -2,-0.5 2,-0.4 -0.968 17.8-140.2-116.6 110.9 18.9 -2.1 37.3 37 37 A G E +cd 125 87A 0 49,-2.6 51,-1.9 -2,-0.6 52,-0.2 -0.608 26.0 173.5 -77.2 124.9 19.5 -0.7 33.8 38 38 A C E +c 126 0A 0 87,-2.7 89,-1.2 -2,-0.4 -1,-0.1 -0.161 47.8 93.9-125.1 38.8 18.3 2.9 33.6 39 39 A D S S- 0 0 17 2,-0.3 50,-0.3 87,-0.2 5,-0.2 -0.998 76.6-128.1-129.2 130.7 19.6 3.8 30.1 40 40 A P S S+ 0 0 42 0, 0.0 2,-0.6 0, 0.0 50,-0.1 0.686 96.8 83.7 -57.5 -21.2 17.2 3.5 27.0 41 41 A K S S- 0 0 30 1,-0.1 2,-0.8 48,-0.1 3,-0.4 -0.755 83.5-148.0 -72.3 120.5 20.0 1.5 25.3 42 42 A A + 0 0 19 -2,-0.6 12,-0.6 1,-0.2 3,-0.2 -0.142 67.8 100.1 -94.1 48.3 19.0 -1.7 26.9 43 43 A D + 0 0 30 -2,-0.8 3,-0.5 10,-0.2 4,-0.3 0.130 39.2 107.5-117.6 23.6 22.5 -3.3 27.1 44 44 A S S S+ 0 0 0 -3,-0.4 -1,-0.1 -5,-0.2 -2,-0.1 0.537 88.2 39.0 -75.7 -9.4 23.5 -2.7 30.7 45 45 A T S >> S+ 0 0 0 -3,-0.2 4,-1.9 2,-0.1 3,-0.7 0.367 83.6 104.9-121.4 4.4 23.0 -6.4 31.7 46 46 A R H 3>>S+ 0 0 29 -3,-0.5 5,-1.7 1,-0.2 4,-1.1 0.830 80.4 47.4 -50.3 -47.3 24.4 -8.1 28.5 47 47 A L H 345S+ 0 0 9 -4,-0.3 179,-0.7 2,-0.2 -1,-0.2 0.686 111.2 49.7 -75.5 -23.0 27.7 -9.3 30.0 48 48 A I H <45S+ 0 0 1 -3,-0.7 32,-2.2 177,-0.2 -1,-0.2 0.870 120.5 36.2 -80.8 -38.4 26.3 -10.7 33.1 49 49 A L H <5S- 0 0 38 -4,-1.9 -2,-0.2 30,-0.2 -3,-0.1 0.488 100.6-126.7 -94.8 -5.3 23.6 -12.7 31.2 50 50 A H T <5 + 0 0 55 -4,-1.1 2,-0.2 174,-0.5 -3,-0.2 0.861 69.4 117.0 56.9 45.0 25.6 -13.7 28.1 51 51 A S S - 0 0 5 -2,-0.2 4,-2.1 30,-0.1 32,-0.2 -0.379 16.9-116.3 -86.2 162.6 12.9 -4.7 29.2 57 57 A I H > S+ 0 0 2 30,-2.1 4,-2.3 2,-0.2 5,-0.2 0.874 118.2 55.6 -61.9 -40.0 10.0 -4.1 31.6 58 58 A M H > S+ 0 0 80 30,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.909 110.6 42.9 -57.9 -48.2 8.6 -1.7 28.9 59 59 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.884 116.5 46.6 -69.0 -39.3 8.7 -4.4 26.2 60 60 A M H X S+ 0 0 46 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.847 111.2 51.1 -75.7 -30.2 7.2 -7.1 28.4 61 61 A A H X S+ 0 0 15 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 110.1 51.6 -68.7 -42.7 4.5 -4.9 29.8 62 62 A A H < S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.814 112.0 45.4 -63.4 -33.2 3.6 -4.0 26.2 63 63 A E H < S+ 0 0 172 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 120.0 40.7 -79.3 -29.9 3.3 -7.7 25.2 64 64 A A H < S- 0 0 47 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.646 115.1-106.5 -92.8 -13.8 1.4 -8.6 28.4 65 65 A G S < S- 0 0 52 -4,-2.1 2,-0.2 -5,-0.1 -4,-0.1 -0.595 82.2 -11.7 123.4 -72.3 -1.0 -5.6 28.6 66 66 A T S > S- 0 0 73 -2,-0.3 3,-1.2 -6,-0.1 4,-0.1 -0.845 78.8 -86.7-146.6 179.9 0.4 -3.6 31.5 67 67 A V G > S+ 0 0 48 1,-0.2 3,-1.3 -2,-0.2 -5,-0.0 0.722 119.8 71.0 -64.6 -22.1 3.0 -3.9 34.4 68 68 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 -7,-0.0 -7,-0.0 0.731 94.0 55.1 -64.8 -24.8 0.1 -5.5 36.5 69 69 A D G < S+ 0 0 97 -3,-1.2 -1,-0.3 -8,-0.1 2,-0.2 0.409 92.4 96.7 -91.0 -0.0 0.4 -8.6 34.2 70 70 A L < - 0 0 17 -3,-1.3 2,-0.4 -4,-0.1 3,-0.0 -0.571 60.8-145.3 -94.0 153.6 4.1 -9.1 34.9 71 71 A E >> - 0 0 112 -2,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.889 21.7-125.5-110.9 148.2 5.8 -11.4 37.3 72 72 A L H >> S+ 0 0 34 -2,-0.4 4,-2.8 1,-0.3 3,-1.0 0.885 110.4 55.2 -61.7 -38.9 9.1 -10.4 38.9 73 73 A E H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.585 101.7 58.2 -72.7 -10.3 10.9 -13.6 37.7 74 74 A D H <4 S+ 0 0 57 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.670 118.4 31.6 -83.7 -20.4 9.9 -12.8 34.1 75 75 A V H << S+ 0 0 2 -3,-1.0 2,-0.8 -4,-0.7 12,-0.3 0.734 110.8 64.7-104.1 -39.9 11.8 -9.5 34.4 76 76 A L < - 0 0 16 -4,-2.8 2,-0.4 -5,-0.2 10,-0.2 -0.842 66.7-176.8-102.4 109.5 14.6 -10.2 36.8 77 77 A K E -E 85 0A 89 8,-2.5 8,-3.4 -2,-0.8 2,-0.3 -0.843 19.5-131.4-109.8 140.8 17.1 -12.7 35.5 78 78 A A E +E 84 0A 71 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.702 33.5 158.3 -93.2 143.8 20.1 -14.2 37.2 79 79 A G > + 0 0 23 4,-1.8 3,-2.1 1,-0.3 -30,-0.2 -0.313 46.2 4.0-132.4-144.6 23.6 -14.3 35.5 80 80 A Y G > S- 0 0 54 -32,-2.2 3,-2.0 1,-0.3 -1,-0.3 -0.169 132.1 -1.5 -50.7 131.4 27.3 -14.6 36.4 81 81 A G G 3 S- 0 0 55 1,-0.3 -1,-0.3 -3,-0.1 -51,-0.1 0.597 125.8 -72.5 59.8 14.5 27.9 -15.1 40.1 82 82 A G G < S+ 0 0 36 -3,-2.1 -1,-0.3 1,-0.2 2,-0.3 0.651 80.6 161.2 76.9 17.8 24.1 -14.9 40.7 83 83 A V < - 0 0 2 -3,-2.0 -4,-1.8 -51,-0.1 2,-0.4 -0.572 38.1-128.9 -73.5 130.8 23.8 -11.1 40.0 84 84 A K E -dE 34 78A 48 -51,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.727 25.5-158.4 -82.7 131.8 20.1 -10.3 39.3 85 85 A C E +dE 35 77A 0 -8,-3.4 -8,-2.5 -2,-0.4 2,-0.3 -0.914 18.0 165.8-123.3 129.5 19.6 -8.3 36.1 86 86 A V E -d 36 0A 0 -51,-2.0 -49,-2.6 -2,-0.4 2,-0.4 -0.958 18.9-151.3-138.9 153.6 16.7 -6.1 35.0 87 87 A E E -d 37 0A 0 -32,-0.4 -30,-2.1 -2,-0.3 -29,-0.2 -0.995 3.5-158.0-128.9 130.6 16.3 -3.5 32.3 88 88 A S - 0 0 0 -51,-1.9 -30,-1.5 -2,-0.4 2,-0.2 0.939 22.5-172.9 -72.5 -48.0 13.9 -0.6 32.5 89 89 A G - 0 0 6 -50,-0.3 12,-0.2 -52,-0.2 -1,-0.2 -0.572 8.8-158.3 79.8-152.0 13.5 0.2 28.8 90 90 A G - 0 0 18 -2,-0.2 8,-0.1 11,-0.2 9,-0.1 -0.909 25.1 -34.6 160.2 174.2 11.6 3.4 27.9 91 91 A P - 0 0 30 0, 0.0 5,-0.0 0, 0.0 10,-0.0 -0.084 64.6 -95.0 -55.1 150.8 9.5 5.3 25.3 92 92 A E > - 0 0 118 1,-0.1 3,-1.1 364,-0.0 361,-0.0 -0.417 48.7 -96.5 -63.7 143.7 10.2 5.2 21.6 93 93 A P T 3 S+ 0 0 18 0, 0.0 364,-0.1 0, 0.0 -1,-0.1 0.712 120.4 48.4 -38.7 -33.2 12.4 8.2 20.4 94 94 A G T 3 S+ 0 0 3 362,-0.1 2,-0.1 335,-0.0 336,-0.1 0.947 102.5 76.1 -73.8 -41.5 9.5 10.4 19.3 95 95 A V S < S- 0 0 50 -3,-1.1 326,-0.1 2,-0.1 328,-0.0 -0.366 86.1 -47.5 -96.9 153.3 7.3 10.2 22.4 96 96 A G S S- 0 0 53 -2,-0.1 2,-0.5 1,-0.1 3,-0.0 0.051 96.7 -18.4 48.3-135.7 6.9 11.3 25.9 97 97 A C > - 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0 0 1 -5,-2.6 -1,-0.2 -8,-0.1 2,-0.2 -0.900 65.9-107.6-136.6 159.5 62.4 -15.1 64.9 1092 226 D T >> - 0 0 0 -179,-0.8 4,-2.8 -2,-0.3 3,-0.7 -0.532 35.5-118.8 -76.7 145.1 65.5 -13.1 65.2 1093 227 D V H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 7,-0.2 0.866 114.7 61.5 -53.0 -38.0 67.8 -13.0 62.1 1094 228 D I H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -207,-0.1 0.851 114.3 33.1 -57.0 -38.2 70.5 -14.7 64.4 1095 229 D E H <4 S+ 0 0 30 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.891 120.1 48.8 -85.0 -46.2 68.3 -17.7 64.9 1096 230 D Y H < S+ 0 0 35 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.894 133.7 5.1 -64.4 -48.3 66.5 -17.8 61.5 1097 231 D D >< + 0 0 55 -4,-2.4 3,-1.3 -5,-0.2 6,-0.3 -0.663 65.8 176.1-141.7 83.7 69.6 -17.5 59.2 1098 232 D P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 82.2 55.2 -62.1 -26.4 72.8 -17.5 61.3 1099 233 D K T 3 S+ 0 0 188 4,-0.1 5,-0.1 5,-0.0 -5,-0.1 0.656 85.7 115.6 -80.7 -18.5 75.0 -17.4 58.1 1100 234 D A S <> S- 0 0 15 -3,-1.3 4,-1.4 -7,-0.2 3,-0.3 -0.030 76.8-115.6 -58.2 156.4 73.3 -14.2 56.7 1101 235 D K H > S+ 0 0 154 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.882 115.4 49.4 -56.0 -47.1 75.0 -10.9 56.1 1102 236 D Q H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.761 101.7 62.6 -65.5 -29.9 72.8 -9.1 58.7 1103 237 D A H > S+ 0 0 0 -6,-0.3 4,-1.3 -3,-0.3 -1,-0.2 0.907 105.7 45.8 -64.1 -40.7 73.4 -11.8 61.4 1104 238 D D H X S+ 0 0 92 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.687 107.9 58.8 -75.5 -17.9 77.2 -10.9 61.4 1105 239 D E H X S+ 0 0 59 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.866 109.5 42.2 -72.9 -40.3 76.3 -7.2 61.5 1106 240 D Y H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.726 112.2 55.2 -76.2 -26.2 74.4 -7.8 64.7 1107 241 D R H X S+ 0 0 43 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.870 108.3 49.2 -67.4 -42.0 77.2 -10.0 65.9 1108 242 D A H X S+ 0 0 34 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.866 113.2 45.4 -64.2 -42.0 79.6 -7.1 65.2 1109 243 D L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.883 110.7 55.6 -67.6 -40.7 77.3 -4.7 67.1 1110 244 D A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.881 108.1 47.3 -61.2 -42.2 77.1 -7.3 69.9 1111 245 D R H X S+ 0 0 112 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.922 110.4 52.2 -63.4 -44.8 80.9 -7.4 70.3 1112 246 D K H < S+ 0 0 83 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.805 107.2 52.2 -63.2 -34.1 81.2 -3.6 70.3 1113 247 D V H >< S+ 0 0 0 -4,-1.8 3,-1.0 2,-0.2 -1,-0.2 0.933 110.1 48.6 -67.1 -46.8 78.6 -3.3 73.1 1114 248 D V H 3< S+ 0 0 21 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 117.4 42.6 -60.1 -36.9 80.6 -5.9 75.2 1115 249 D D T 3< S+ 0 0 83 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.442 85.7 125.8 -92.4 -1.4 83.8 -4.0 74.6 1116 250 D N < + 0 0 15 -3,-1.0 -3,-0.1 -4,-0.5 -69,-0.0 -0.403 17.3 157.3 -71.6 131.3 82.5 -0.5 75.1 1117 251 D K + 0 0 160 -2,-0.2 2,-1.1 -71,-0.1 -1,-0.2 0.419 47.1 102.4-122.3 -16.2 84.3 1.8 77.6 1118 252 D L + 0 0 73 -72,-0.1 2,-0.5 1,-0.0 -46,-0.2 -0.633 41.1 157.3 -77.8 98.0 83.1 5.1 76.0 1119 253 D L - 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