==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 29-JUN-07 2QGO . COMPND 2 MOLECULE: PUTATIVE FE-S BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 20.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 . 9 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 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 . 0 1 0 1 1 1 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 1 1 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 4 A L 0 0 84 0, 0.0 55,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.5 -10.8 27.6 23.5 2 5 A N B -a 56 0A 60 72,-0.3 75,-2.2 53,-0.2 2,-0.3 -0.979 360.0-170.0-142.8 154.8 -7.6 29.3 22.2 3 6 A I E -b 77 0B 3 53,-2.7 55,-0.4 -2,-0.3 2,-0.4 -0.994 9.7-159.3-147.2 152.8 -4.0 28.3 22.3 4 7 A K E -b 78 0B 138 73,-2.0 75,-2.7 -2,-0.3 2,-0.5 -0.987 11.4-146.7-133.0 142.0 -0.5 29.7 21.6 5 8 A F E -b 79 0B 3 -2,-0.4 75,-0.2 73,-0.2 73,-0.0 -0.944 20.1-131.4-110.2 126.1 2.7 27.8 20.8 6 9 A T > - 0 0 41 73,-2.3 4,-2.7 -2,-0.5 5,-0.2 -0.146 31.8 -99.8 -66.4 169.5 6.0 29.3 22.1 7 10 A D H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 125.2 49.9 -58.4 -41.6 8.9 29.6 19.7 8 11 A N H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.844 110.5 49.4 -67.5 -33.9 10.5 26.5 21.1 9 12 A A H > S+ 0 0 0 70,-0.3 4,-2.9 2,-0.2 5,-0.2 0.931 112.4 48.3 -69.6 -44.5 7.3 24.5 20.8 10 13 A V H X S+ 0 0 18 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.929 111.7 49.1 -60.2 -47.5 6.9 25.7 17.2 11 14 A D H X S+ 0 0 75 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.935 112.7 48.7 -57.9 -46.6 10.5 24.8 16.3 12 15 A Y H X S+ 0 0 40 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.951 108.7 50.8 -59.6 -52.3 10.1 21.4 17.9 13 16 A L H <>S+ 0 0 3 -4,-2.9 5,-2.5 1,-0.2 6,-0.7 0.867 112.3 50.8 -54.0 -35.3 6.8 20.6 16.1 14 17 A K H ><5S+ 0 0 114 -4,-2.0 3,-2.0 -5,-0.2 -1,-0.2 0.907 105.0 53.2 -67.9 -45.9 8.8 21.6 12.9 15 18 A R H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.4 48.9 -60.0 -26.6 11.7 19.3 13.7 16 19 A R T 3<5S- 0 0 136 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.371 111.1-128.3 -93.0 2.0 9.1 16.6 14.0 17 20 A E T < 5S+ 0 0 141 -3,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.802 80.6 104.1 56.4 36.0 7.5 17.6 10.7 18 21 A I > < + 0 0 5 -5,-2.5 3,-1.5 2,-0.1 -4,-0.2 0.390 39.6 96.9-125.9 3.5 4.0 17.9 12.1 19 22 A L T 3 S+ 0 0 36 -6,-0.7 43,-0.3 1,-0.3 -5,-0.1 0.776 90.0 48.7 -63.9 -26.4 3.3 21.6 12.5 20 23 A D T 3 S+ 0 0 114 -7,-0.2 -1,-0.3 41,-0.1 -2,-0.1 0.374 99.2 95.4 -92.9 0.6 1.5 21.6 9.1 21 24 A K S < S- 0 0 46 -3,-1.5 2,-0.6 1,-0.1 41,-0.5 -0.283 90.8 -87.9 -89.1 174.5 -0.6 18.6 10.0 22 25 A I E -Ef 44 62C 16 22,-2.4 22,-2.5 39,-0.1 2,-0.4 -0.741 52.0-157.9 -80.3 119.5 -4.1 18.2 11.4 23 26 A L E -Ef 43 63C 0 39,-3.5 41,-3.5 -2,-0.6 2,-0.5 -0.869 12.7-165.5-108.1 138.9 -3.4 18.2 15.2 24 27 A I E -Ef 42 64C 0 18,-2.8 18,-2.9 -2,-0.4 2,-0.6 -0.972 3.7-161.7-124.1 115.7 -5.7 16.8 17.8 25 28 A L E +E 41 0C 0 39,-2.8 41,-0.3 -2,-0.5 2,-0.3 -0.857 27.8 152.9 -97.5 123.2 -5.2 17.7 21.5 26 29 A I E -E 40 0C 4 14,-1.9 14,-2.2 -2,-0.6 2,-0.2 -0.945 47.0-102.7-145.8 166.5 -6.9 15.3 23.8 27 30 A T E -E 39 0C 16 -2,-0.3 2,-0.5 12,-0.2 12,-0.3 -0.602 30.8-144.7 -84.7 152.5 -6.7 13.9 27.3 28 31 A D + 0 0 19 10,-2.4 11,-0.0 -2,-0.2 -1,-0.0 -0.799 39.6 148.8-124.1 89.6 -5.3 10.4 27.5 29 32 A D S S- 0 0 111 -2,-0.5 -1,-0.1 7,-0.0 10,-0.0 0.208 74.4-100.2-102.2 13.4 -7.0 8.4 30.2 30 33 A G S S+ 0 0 53 -3,-0.1 5,-0.1 2,-0.0 -2,-0.1 0.356 106.5 93.3 85.0 -4.0 -6.5 5.2 28.3 31 34 A G + 0 0 66 3,-0.0 2,-0.1 0, 0.0 -3,-0.1 0.703 62.3 84.2 -95.2 -21.1 -10.1 5.3 27.0 32 35 A G S > S- 0 0 34 -5,-0.1 3,-1.4 1,-0.1 -6,-0.0 -0.357 83.8-114.0 -82.9 163.8 -9.8 7.0 23.6 33 36 A K T 3 S+ 0 0 70 1,-0.3 78,-0.1 -2,-0.1 -1,-0.1 0.784 115.6 52.4 -65.7 -25.4 -9.0 5.5 20.3 34 37 A Y T 3 S+ 0 0 3 6,-0.0 -1,-0.3 8,-0.0 -8,-0.1 0.114 78.6 159.9 -98.3 22.4 -5.7 7.5 20.1 35 38 A S < 0 0 31 -3,-1.4 -7,-0.1 -5,-0.1 -8,-0.0 -0.161 360.0 360.0 -51.9 133.9 -4.4 6.4 23.6 36 39 A I 0 0 130 66,-0.0 71,-0.1 64,-0.0 -7,-0.0 -0.294 360.0 360.0 50.3 360.0 -0.6 6.8 24.1 37 ! 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 38 49 A H 0 0 94 0, 0.0 -10,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.8 -2.4 13.8 31.0 39 50 A F E -E 27 0C 11 -12,-0.3 61,-1.4 59,-0.1 2,-0.3 -0.899 360.0-167.7-133.3 163.0 -2.6 15.0 27.4 40 51 A S E -Eg 26 100C 0 -14,-2.2 -14,-1.9 -2,-0.3 2,-0.6 -0.989 21.7-126.7-148.8 155.4 -1.2 14.2 24.0 41 52 A I E -Eg 25 101C 3 59,-3.5 61,-2.6 -2,-0.3 2,-0.5 -0.922 24.4-165.7-103.9 121.4 -1.0 15.6 20.6 42 53 A I E -Eg 24 102C 0 -18,-2.9 -18,-2.8 -2,-0.6 2,-0.4 -0.918 6.3-155.2-108.1 129.6 -2.2 13.4 17.8 43 54 A W E +Eg 23 103C 47 59,-2.2 61,-2.1 -2,-0.5 62,-0.5 -0.856 17.2 167.7-109.3 144.6 -1.4 14.2 14.3 44 55 A L E -E 22 0C 19 -22,-2.5 -22,-2.4 -2,-0.4 3,-0.1 -0.846 39.5-127.3-138.9 174.1 -3.3 13.2 11.1 45 56 A D S S+ 0 0 109 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.1 0.593 94.6 26.3-102.3 -12.3 -3.3 14.2 7.4 46 57 A K S S- 0 0 155 -24,-0.1 -1,-0.2 -25,-0.0 -24,-0.1 -0.941 98.0 -82.3-143.0 159.9 -7.1 14.8 7.3 47 58 A V - 0 0 75 -2,-0.3 -2,-0.1 -3,-0.1 -23,-0.0 -0.306 33.1-137.7 -66.3 146.8 -9.7 15.9 9.8 48 59 A D > - 0 0 16 3,-0.4 3,-2.7 1,-0.1 -1,-0.1 -0.938 6.4-147.3-106.0 115.6 -11.3 13.3 12.1 49 60 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.718 97.0 67.2 -56.3 -20.4 -15.0 13.9 12.4 50 61 A D T 3 S+ 0 0 103 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.617 105.8 44.3 -74.0 -10.7 -14.9 12.6 16.0 51 62 A Y < + 0 0 20 -3,-2.7 -3,-0.4 15,-0.1 -1,-0.3 -0.601 68.5 143.9-134.7 73.5 -12.8 15.7 16.8 52 63 A P + 0 0 77 0, 0.0 2,-0.5 0, 0.0 14,-0.2 0.588 35.1 106.7 -86.9 -17.1 -14.6 18.7 15.1 53 64 A V E -H 65 0C 33 12,-1.6 12,-1.6 1,-0.1 2,-0.3 -0.554 62.1-141.4 -74.9 120.4 -14.0 21.4 17.6 54 65 A K E -H 64 0C 148 -2,-0.5 2,-0.7 10,-0.2 10,-0.2 -0.580 0.3-145.2 -83.6 138.4 -11.4 24.0 16.5 55 66 A I - 0 0 4 8,-2.4 8,-0.4 -2,-0.3 -53,-0.2 -0.922 27.8-128.1-102.4 113.0 -9.0 25.4 19.0 56 67 A A B +a 2 0A 58 -55,-2.0 -53,-2.7 -2,-0.7 2,-0.3 -0.300 40.2 155.3 -63.8 143.7 -8.4 29.0 17.9 57 68 A N - 0 0 36 -55,-0.2 3,-0.3 4,-0.1 -53,-0.1 -0.957 45.0-133.2-160.7 161.0 -4.8 30.3 17.5 58 69 A E S S+ 0 0 193 -55,-0.4 -54,-0.1 -2,-0.3 -2,-0.1 0.101 92.3 79.1-108.4 20.9 -3.1 33.0 15.5 59 70 A Q S S- 0 0 59 2,-0.1 -1,-0.2 0, 0.0 -55,-0.0 0.260 103.5-112.5-113.0 12.1 -0.3 30.7 14.2 60 71 A N + 0 0 155 -3,-0.3 2,-0.5 1,-0.2 -2,-0.1 0.804 62.6 153.6 63.3 32.0 -2.2 29.0 11.4 61 72 A V - 0 0 10 -6,-0.1 2,-1.6 2,-0.0 -1,-0.2 -0.805 44.8-139.4 -94.8 129.4 -2.2 25.6 13.2 62 73 A K E +f 22 0C 124 -41,-0.5 -39,-3.5 -2,-0.5 2,-0.4 -0.664 42.9 160.5 -87.8 83.5 -5.0 23.2 12.3 63 74 A I E +f 23 0C 3 -2,-1.6 -8,-2.4 -8,-0.4 -39,-0.2 -0.920 12.0 175.6-113.7 133.8 -5.6 22.0 15.9 64 75 A Y E +fH 24 54C 34 -41,-3.5 -39,-2.8 -2,-0.4 2,-0.3 -0.733 11.1 176.1-128.0 174.5 -8.8 20.3 17.1 65 76 A T E - H 0 53C 0 -12,-1.6 -12,-1.6 -2,-0.2 2,-0.2 -0.891 28.3-103.0-160.9-175.8 -10.4 18.5 20.0 66 77 A S > - 0 0 13 -41,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.741 30.9-106.8-119.2 169.2 -13.8 17.0 21.1 67 78 A D H > S+ 0 0 94 -2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.886 122.1 48.6 -62.4 -34.5 -16.6 18.1 23.2 68 79 A F H >4 S+ 0 0 116 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.938 112.9 45.2 -69.0 -48.5 -15.5 15.6 25.8 69 80 A D H >4 S+ 0 0 7 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.779 101.0 68.0 -68.5 -27.0 -11.9 16.6 25.8 70 81 A K H >< S+ 0 0 73 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.750 88.1 66.2 -67.8 -21.2 -12.6 20.4 25.9 71 82 A T T << S+ 0 0 105 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.772 104.5 44.6 -71.3 -23.2 -14.0 20.2 29.4 72 83 A M T < S+ 0 0 92 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.425 99.6 85.5 -98.5 -0.1 -10.5 19.2 30.8 73 84 A L S < S- 0 0 15 -3,-0.7 17,-0.1 -4,-0.4 -3,-0.0 -0.407 72.5-133.2 -90.0 174.5 -8.7 21.9 28.8 74 85 A G - 0 0 4 -2,-0.1 3,-0.4 15,-0.1 -72,-0.3 -0.778 21.6 -81.4-128.3 173.9 -8.3 25.4 30.1 75 86 A P S S+ 0 0 60 0, 0.0 16,-2.0 0, 0.0 17,-0.3 -0.525 105.1 5.5 -77.1 137.7 -8.6 29.1 29.0 76 87 A N S S- 0 0 76 -2,-0.2 -73,-0.2 14,-0.2 2,-0.1 0.970 87.2-159.6 55.5 62.8 -5.8 30.7 27.0 77 88 A M E -b 3 0B 1 -75,-2.2 -73,-2.0 -3,-0.4 2,-0.4 -0.378 10.9-161.7 -75.2 150.2 -3.6 27.6 26.6 78 89 A V E -bC 4 89B 50 11,-2.6 11,-2.1 -75,-0.2 2,-0.5 -0.999 5.0-156.5-132.6 130.9 0.1 27.7 25.9 79 90 A M E +bC 5 88B 2 -75,-2.7 -73,-2.3 -2,-0.4 -70,-0.3 -0.946 22.9 174.4-108.4 125.9 2.1 24.8 24.6 80 91 A D E - C 0 87B 41 7,-3.0 7,-2.9 -2,-0.5 2,-0.4 -0.789 21.5-145.6-126.0 169.9 5.8 25.1 25.3 81 92 A Y E + C 0 86B 43 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.978 37.3 122.6-141.5 124.5 8.9 22.9 24.9 82 93 A N E > + C 0 85B 80 3,-1.9 3,-1.4 -2,-0.4 -2,-0.1 -0.940 60.1 37.5-172.8 155.6 11.9 22.6 27.2 83 94 A A T 3 S- 0 0 99 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.835 131.2 -64.5 62.7 28.2 13.8 20.0 29.2 84 95 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.658 115.1 99.3 69.3 18.4 13.1 17.7 26.2 85 96 A S E < S-C 82 0B 33 -3,-1.4 -3,-1.9 15,-0.0 2,-0.3 -0.984 71.2-122.0-141.9 150.2 9.3 17.7 26.7 86 97 A L E -CD 81 99B 4 13,-0.7 13,-2.9 -2,-0.3 2,-0.4 -0.686 34.3-166.3 -81.9 136.0 6.2 19.4 25.4 87 98 A S E -C 80 0B 19 -7,-2.9 -7,-3.0 -2,-0.3 2,-0.4 -0.991 8.7-156.2-130.5 137.2 4.3 21.1 28.2 88 99 A L E +CD 79 96B 0 8,-2.9 7,-2.4 -2,-0.4 8,-2.0 -0.925 22.7 156.6-114.0 135.5 0.7 22.4 28.2 89 100 A S E -CD 78 94B 33 -11,-2.1 -11,-2.6 -2,-0.4 2,-0.2 -0.917 15.9-170.7-147.9 171.4 -0.6 25.1 30.5 90 101 A S E > - D 0 93B 16 3,-2.2 3,-1.3 -2,-0.3 -14,-0.2 -0.775 53.5 -71.2-148.0-169.1 -3.3 27.7 30.8 91 102 A D T 3 S+ 0 0 108 -16,-2.0 3,-0.1 1,-0.3 -15,-0.1 0.726 129.7 57.3 -66.1 -20.1 -4.3 30.7 33.0 92 103 A E T 3 S- 0 0 159 1,-0.3 2,-0.3 -17,-0.3 -1,-0.3 0.539 118.5-100.5 -88.2 -7.8 -5.1 28.1 35.8 93 104 A G E < -D 90 0B 35 -3,-1.3 -3,-2.2 0, 0.0 2,-0.3 -0.825 67.1 -7.4 125.8-165.7 -1.7 26.6 35.8 94 105 A L E +D 89 0B 125 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.555 45.0 178.7 -74.9 128.7 0.2 23.6 34.5 95 106 A L E S- 0 0 48 -7,-2.4 2,-0.3 -2,-0.3 -6,-0.2 0.809 72.9 -10.4 -95.4 -41.8 -2.0 21.0 32.8 96 107 A D E -D 88 0B 16 -8,-2.0 -8,-2.9 -58,-0.1 3,-0.4 -0.828 48.8-163.9-164.2 120.5 0.7 18.5 31.7 97 108 A G E S+ 0 0 31 -2,-0.3 2,-0.1 -10,-0.2 -1,-0.0 0.536 90.5 42.0 -84.7 -7.4 4.5 18.9 31.8 98 109 A S E S- 0 0 67 -13,-0.1 2,-0.3 -10,-0.1 -1,-0.2 -0.529 72.7-179.6-141.1 72.6 5.1 15.9 29.5 99 110 A V E -D 86 0B 10 -13,-2.9 -13,-0.7 -3,-0.4 -59,-0.2 -0.550 20.3-137.9 -74.5 131.9 2.7 15.9 26.6 100 111 A D E -g 40 0C 70 -61,-1.4 -59,-3.5 -2,-0.3 2,-0.4 -0.520 5.4-142.6 -90.4 157.7 3.1 12.9 24.2 101 112 A I E -g 41 0C 27 -61,-0.2 2,-0.4 -2,-0.2 -59,-0.2 -0.980 20.3-175.6-120.7 132.3 3.0 13.1 20.4 102 113 A G E -g 42 0C 10 -61,-2.6 -59,-2.2 -2,-0.4 2,-0.9 -0.990 31.5-125.1-136.4 139.5 1.4 10.2 18.4 103 114 A N E > -g 43 0C 61 -2,-0.4 4,-2.3 -61,-0.2 5,-0.1 -0.690 27.5-154.9 -75.0 107.3 1.0 9.4 14.8 104 115 A G H > S+ 0 0 0 -61,-2.1 4,-2.4 -2,-0.9 5,-0.2 0.891 89.0 48.8 -53.4 -49.8 -2.8 8.9 14.6 105 116 A A H > S+ 0 0 61 -62,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.936 111.4 51.2 -58.8 -45.9 -2.8 6.6 11.6 106 117 A A H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.910 108.8 51.8 -58.5 -43.8 -0.1 4.4 13.1 107 118 A L H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.949 112.5 44.2 -56.9 -52.5 -2.1 4.2 16.4 108 119 A L H X S+ 0 0 61 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.895 111.2 54.5 -60.2 -43.5 -5.2 3.0 14.7 109 120 A K H X S+ 0 0 135 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.937 112.3 42.4 -56.7 -50.5 -3.4 0.6 12.4 110 121 A A H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.903 111.5 56.4 -63.8 -41.1 -1.7 -1.2 15.4 111 122 A N H X S+ 0 0 72 -4,-2.4 4,-0.8 -5,-0.3 -2,-0.2 0.939 111.1 44.5 -54.2 -48.6 -5.1 -1.0 17.2 112 123 A K H < S+ 0 0 158 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.901 113.1 49.5 -64.1 -45.4 -6.6 -2.9 14.3 113 124 A N H < S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 104.2 55.6 -65.9 -42.9 -3.9 -5.5 13.9 114 125 A V H < 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 360.0 360.0 -59.7 -24.8 -3.6 -6.5 17.6 115 126 A Q < 0 0 199 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.667 360.0 360.0 -83.3 360.0 -7.3 -7.3 17.2