==== 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 TRANSPORT PROTEIN 26-SEP-05 2B4M . COMPND 2 MOLECULE: GLYCINE BETAINE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.HORN,L.SOHN-BOESSER,J.BREED,W.WELTE,L.SCHMITT,E.BREMER . 530 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.2 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 . 0 0.0 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 . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 2 2 4 0 4 0 0 4 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 2 0 2 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 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 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 9 A S > 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.7 52.5 3.5 24.9 2 10 A A H > + 0 0 4 259,-0.6 4,-1.6 2,-0.2 6,-0.3 0.842 360.0 50.0 -64.9 -35.3 49.2 3.8 23.0 3 11 A A H >>S+ 0 0 13 258,-0.3 4,-1.5 2,-0.2 5,-1.2 0.953 112.3 48.3 -64.7 -49.4 47.9 6.2 25.7 4 12 A E H 45S+ 0 0 157 1,-0.2 3,-0.2 2,-0.2 -2,-0.2 0.902 110.8 53.1 -49.4 -48.3 51.1 8.3 25.2 5 13 A Q H <5S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 121.1 24.6 -67.4 -38.0 50.7 8.2 21.4 6 14 A V H <5S- 0 0 18 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.408 102.0-115.6-110.4 1.5 47.2 9.5 21.0 7 15 A N T <5S- 0 0 133 -4,-1.5 -3,-0.2 -3,-0.2 -4,-0.1 0.858 71.8 -61.8 66.3 38.7 46.8 11.6 24.2 8 16 A K S - 0 0 51 25,-0.2 3,-1.5 1,-0.1 6,-0.2 -0.375 56.9-128.5 -73.3 139.1 28.1 11.0 15.2 15 23 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 0.759 102.3 58.2 -57.3 -33.1 26.8 10.8 18.8 16 24 A G T 3 S+ 0 0 68 4,-0.1 2,-0.2 3,-0.0 -2,-0.1 0.248 87.6 112.5 -82.0 15.3 23.4 9.2 18.0 17 25 A S S <> S- 0 0 4 -3,-1.5 4,-1.4 1,-0.1 3,-0.4 -0.519 73.5-124.0 -99.4 159.2 25.0 6.2 16.3 18 26 A G H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 110.6 53.7 -63.8 -43.0 25.2 2.5 17.2 19 27 A I H > S+ 0 0 0 514,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.764 106.3 55.1 -63.8 -25.2 29.0 2.3 17.1 20 28 A M H > S+ 0 0 8 -3,-0.4 4,-1.9 -6,-0.2 -1,-0.2 0.857 108.6 45.3 -80.7 -35.3 29.2 5.2 19.5 21 29 A S H X S+ 0 0 80 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.945 113.7 51.1 -64.4 -51.3 27.0 3.5 22.1 22 30 A L H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.856 109.5 50.2 -53.8 -40.0 29.0 0.3 21.6 23 31 A T H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.892 105.6 56.2 -66.1 -42.3 32.2 2.3 22.1 24 32 A D H X S+ 0 0 73 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.919 109.7 46.5 -50.9 -48.2 30.8 3.8 25.3 25 33 A K H X S+ 0 0 100 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 111.8 52.3 -62.9 -40.5 30.3 0.2 26.5 26 34 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 3,-0.3 0.969 108.0 48.3 -60.7 -56.8 33.8 -0.6 25.4 27 35 A M H <>S+ 0 0 24 -4,-3.2 5,-3.2 1,-0.3 -1,-0.2 0.863 115.9 47.1 -50.6 -39.1 35.5 2.3 27.2 28 36 A K H ><5S+ 0 0 69 -4,-1.8 3,-0.6 -5,-0.3 -1,-0.3 0.841 111.3 50.6 -70.6 -35.7 33.5 1.1 30.3 29 37 A D H 3<5S+ 0 0 55 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.766 115.4 40.4 -75.4 -27.6 34.4 -2.6 29.8 30 38 A Y T 3<5S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.215 114.0-111.2-107.8 12.1 38.1 -2.0 29.6 31 39 A D T < 5 + 0 0 74 -3,-0.6 -3,-0.2 -5,-0.2 3,-0.1 0.960 66.9 145.5 52.8 61.2 38.3 0.7 32.3 32 40 A L > < + 0 0 3 -5,-3.2 3,-2.5 -6,-0.1 -4,-0.1 -0.102 14.2 134.2-112.2 32.3 39.2 3.5 29.9 33 41 A N T 3 + 0 0 78 1,-0.3 -1,-0.1 -6,-0.2 -5,-0.1 0.427 68.2 57.4 -73.9 2.4 37.2 6.2 31.9 34 42 A D T 3 S+ 0 0 97 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.357 90.7 97.7-103.0 -0.9 40.1 8.7 31.7 35 43 A W S < S- 0 0 20 -3,-2.5 2,-0.5 -8,-0.1 -26,-0.2 -0.465 70.7-130.8 -82.0 157.8 40.0 8.5 27.8 36 44 A T E -a 9 0A 76 -28,-2.8 -26,-3.1 -2,-0.1 2,-0.7 -0.963 10.0-158.4-112.1 125.4 38.2 11.0 25.6 37 45 A L E -a 10 0A 36 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.915 14.9-149.2 -99.4 109.3 35.8 9.9 22.8 38 46 A I E -a 11 0A 72 -28,-3.2 -26,-2.6 -2,-0.7 2,-0.4 -0.669 6.0-148.4 -76.7 125.3 35.5 12.7 20.3 39 47 A S + 0 0 59 -2,-0.4 -25,-0.2 -28,-0.1 -26,-0.2 -0.777 39.9 131.7 -86.4 140.9 32.1 12.7 18.5 40 48 A A - 0 0 35 -27,-2.1 2,-0.3 -2,-0.4 -27,-0.2 -0.209 51.0 -93.4-148.1-116.1 32.2 14.0 14.9 41 49 A S > - 0 0 45 -29,-0.5 4,-2.4 1,-0.2 5,-0.3 -0.937 36.1 -91.7-164.0 174.2 30.6 12.5 11.8 42 50 A S H > S+ 0 0 22 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.992 125.2 45.2 -57.4 -62.0 31.6 10.2 8.9 43 51 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.873 117.5 45.6 -46.2 -47.3 32.8 13.0 6.7 44 52 A A H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 114.0 46.1 -69.6 -39.6 34.7 14.7 9.5 45 53 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -3,-0.3 -2,-0.2 0.908 110.9 51.2 -72.2 -43.7 36.4 11.5 10.9 46 54 A T H X S+ 0 0 13 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.814 111.1 50.5 -65.2 -30.8 37.5 10.2 7.5 47 55 A A H X S+ 0 0 45 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.897 110.5 47.8 -68.4 -45.3 39.1 13.6 6.9 48 56 A T H X S+ 0 0 47 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.851 110.8 53.3 -63.7 -36.5 40.9 13.6 10.3 49 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.918 106.6 52.3 -61.0 -45.7 42.0 10.0 9.4 50 58 A K H X S+ 0 0 92 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.938 109.0 49.0 -57.1 -51.7 43.4 11.3 6.1 51 59 A K H X S+ 0 0 111 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.934 115.7 42.9 -50.4 -54.0 45.5 14.1 7.8 52 60 A S H X>S+ 0 0 14 -4,-1.9 5,-3.3 2,-0.2 4,-0.6 0.836 111.4 54.2 -67.4 -37.0 47.0 11.7 10.4 53 61 A Y H ><5S+ 0 0 51 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.958 109.5 47.0 -60.6 -52.7 47.7 8.9 7.9 54 62 A D H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 116.6 44.1 -57.5 -39.5 49.7 11.1 5.5 55 63 A R H 3<5S- 0 0 160 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.510 109.5-123.2 -82.7 -7.1 51.7 12.6 8.4 56 64 A K T <<5 + 0 0 150 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.870 56.0 160.9 55.1 40.2 52.2 9.1 10.0 57 65 A K < - 0 0 128 -5,-3.3 -1,-0.2 -6,-0.2 2,-0.1 -0.769 46.4-109.6 -86.9 130.7 50.5 10.6 13.1 58 66 A P + 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.439 47.6 171.3 -63.2 135.6 49.2 7.9 15.5 59 67 A I - 0 0 9 -2,-0.1 2,-0.5 191,-0.1 194,-0.1 -0.995 27.7-156.1-148.1 144.1 45.3 7.8 15.5 60 68 A I + 0 0 1 -51,-0.4 -49,-2.6 -2,-0.3 189,-0.2 -0.935 25.2 174.3-122.9 107.6 42.5 5.6 17.0 61 69 A I E -bC 11 248A 2 187,-2.6 187,-2.2 -2,-0.5 2,-0.7 -0.461 39.6-108.9 -98.1 173.8 39.2 5.8 15.2 62 70 A T E - C 0 247A 0 -51,-1.1 2,-0.3 185,-0.2 185,-0.2 -0.950 49.6-177.2 -97.0 108.0 35.9 4.0 15.4 63 71 A G E - C 0 246A 0 183,-2.2 183,-2.7 -2,-0.7 2,-0.3 -0.773 20.3-160.5-109.1 152.6 35.8 1.9 12.2 64 72 A W E - C 0 245A 0 -2,-0.3 181,-0.2 181,-0.2 5,-0.2 -0.974 22.2-129.1-127.6 145.4 33.3 -0.5 10.7 65 73 A T S S+ 0 0 20 179,-3.1 2,-2.2 -2,-0.3 5,-0.3 0.972 92.4 70.9 -65.8 -66.0 34.2 -3.0 8.1 66 74 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 106,-0.2 -0.247 86.6 101.3 -52.7 80.0 31.6 -2.6 5.2 67 75 A H S > S- 0 0 8 -2,-2.2 3,-1.1 104,-0.1 4,-0.2 -0.946 81.6-121.0-166.0 146.6 33.4 0.7 4.3 68 76 A W T >> S+ 0 0 9 -2,-0.3 4,-2.2 1,-0.2 3,-1.7 0.616 95.7 86.9 -67.1 -13.8 35.8 2.1 1.7 69 77 A M H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.802 85.6 53.1 -59.8 -32.4 38.3 3.2 4.6 70 78 A F H <4 S+ 0 0 57 -3,-1.1 -1,-0.3 -5,-0.3 5,-0.2 0.623 111.5 48.3 -76.9 -12.4 39.9 -0.3 4.6 71 79 A S H <4 S+ 0 0 79 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.1 0.901 114.1 40.9 -88.2 -52.7 40.5 0.0 0.8 72 80 A R H < S+ 0 0 132 -4,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.707 123.8 42.2 -67.5 -21.7 42.0 3.6 0.7 73 81 A Y S < S- 0 0 15 -4,-1.1 2,-1.3 -5,-0.3 -1,-0.1 -0.956 77.8-123.0-132.5 148.4 44.0 2.8 3.8 74 82 A K + 0 0 141 -2,-0.3 177,-2.9 2,-0.0 178,-0.3 -0.743 57.0 156.6 -80.9 91.2 46.1 0.0 5.4 75 83 A L E -D 250 0A 8 -2,-1.3 2,-0.3 175,-0.3 173,-0.0 -0.651 24.2-162.6-116.2 171.1 44.1 -0.2 8.7 76 84 A K E -D 249 0A 38 173,-2.3 173,-2.2 -2,-0.2 2,-0.3 -0.994 21.4-110.2-154.3 151.7 43.5 -2.9 11.4 77 85 A Y E -D 248 0A 44 -2,-0.3 2,-0.4 171,-0.2 171,-0.2 -0.645 25.0-130.8 -82.1 135.8 41.2 -3.8 14.3 78 86 A L - 0 0 5 169,-2.6 169,-0.3 -2,-0.3 180,-0.3 -0.753 45.0 -99.9 -75.2 132.3 42.3 -3.6 17.8 79 87 A D B -e 258 0B 104 178,-2.6 180,-2.1 -2,-0.4 181,-0.4 -0.284 28.5-153.7 -60.9 140.7 41.3 -7.0 19.3 80 88 A D > + 0 0 35 178,-0.1 3,-1.4 1,-0.1 -1,-0.1 -0.708 24.7 164.0-115.1 75.3 38.1 -7.1 21.3 81 89 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.810 81.4 50.5 -62.7 -30.1 38.5 -10.1 23.8 82 90 A K T 3 S- 0 0 106 -3,-0.1 4,-0.1 -56,-0.0 -2,-0.0 0.456 104.4-136.9 -84.9 -2.2 35.6 -8.8 26.0 83 91 A Q X + 0 0 118 -3,-1.4 3,-2.3 1,-0.1 -3,-0.0 0.793 42.1 162.9 46.7 43.2 33.5 -8.6 22.8 84 92 A S T 3 S+ 0 0 3 1,-0.3 -1,-0.1 -58,-0.1 -59,-0.1 0.754 73.1 54.9 -57.5 -30.0 32.1 -5.2 23.8 85 93 A Y T 3 S- 0 0 6 1,-0.3 -1,-0.3 160,-0.1 135,-0.1 0.282 107.1-134.3 -88.0 10.1 31.0 -4.7 20.2 86 94 A G < - 0 0 26 -3,-2.3 -1,-0.3 -4,-0.1 2,-0.2 -0.237 24.0-113.8 63.2-160.8 29.1 -7.9 20.1 87 95 A S S S+ 0 0 69 1,-0.1 133,-0.3 -3,-0.1 156,-0.0 -0.832 77.7 51.3-153.0-169.8 29.5 -10.3 17.2 88 96 A A - 0 0 77 -2,-0.2 -1,-0.1 1,-0.1 156,-0.1 0.772 68.4-178.0 36.2 42.5 27.9 -11.9 14.1 89 97 A E E -F 243 0C 2 154,-0.6 154,-1.2 130,-0.1 153,-0.4 -0.402 0.5-177.0 -69.3 146.7 26.6 -8.5 12.9 90 98 A E E - G 0 218C 60 128,-2.6 128,-2.1 151,-0.2 2,-0.5 -0.964 30.0-121.7-144.0 151.8 24.5 -8.6 9.7 91 99 A I E -FG 240 217C 0 149,-2.8 148,-2.1 -2,-0.3 149,-1.6 -0.907 37.9-160.2 -96.9 127.6 22.8 -6.2 7.3 92 100 A H E -FG 238 216C 22 124,-3.8 124,-1.0 -2,-0.5 2,-0.6 -0.753 19.1-132.6-112.1 154.0 19.1 -7.0 7.1 93 101 A T E -F 237 0C 0 144,-3.2 143,-2.0 -2,-0.3 144,-0.8 -0.924 34.2-177.2-103.4 111.7 16.3 -6.3 4.6 94 102 A I E -FG 235 213C 0 119,-2.4 119,-2.8 -2,-0.6 2,-0.3 -0.857 8.9-175.3-114.5 146.2 13.2 -5.0 6.5 95 103 A T E -FG 234 212C 0 139,-2.6 139,-2.7 -2,-0.3 117,-0.2 -0.801 35.5 -86.6-124.5 173.0 9.7 -4.0 5.4 96 104 A R E > -F 233 0C 37 115,-1.8 3,-1.7 -2,-0.3 4,-0.3 -0.537 64.0 -79.5 -74.6 147.0 6.5 -2.6 6.9 97 105 A K T 3 S+ 0 0 128 135,-0.8 -1,-0.1 108,-0.4 135,-0.0 -0.234 118.3 13.3 -48.1 120.1 4.1 -5.0 8.5 98 106 A G T 3> S+ 0 0 14 -3,-0.1 4,-1.1 3,-0.0 -1,-0.3 0.694 84.7 122.4 83.6 20.8 2.0 -6.7 5.7 99 107 A F H <> + 0 0 0 -3,-1.7 4,-3.1 2,-0.2 8,-0.2 0.851 66.7 64.1 -76.5 -36.7 4.1 -5.6 2.7 100 108 A S H 4 S+ 0 0 38 -4,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.749 112.3 34.0 -59.6 -28.8 4.8 -9.2 1.6 101 109 A K H 4 S+ 0 0 143 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.740 115.6 55.0-100.2 -29.0 1.0 -9.8 0.9 102 110 A E H < S+ 0 0 130 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.2 0.880 133.1 11.3 -63.8 -42.4 0.3 -6.2 -0.3 103 111 A Q X + 0 0 34 -4,-3.1 4,-1.7 1,-0.1 -1,-0.3 -0.694 68.7 169.5-141.0 85.8 3.1 -6.7 -2.8 104 112 A P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.883 79.3 54.8 -66.3 -40.1 4.3 -10.3 -3.1 105 113 A N H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.886 109.6 44.2 -59.1 -46.5 6.4 -9.6 -6.2 106 114 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 113.5 51.3 -70.0 -38.9 8.5 -6.8 -4.7 107 115 A A H X S+ 0 0 6 -4,-1.7 4,-2.4 -8,-0.2 -2,-0.2 0.839 103.4 60.0 -64.0 -37.6 9.1 -8.7 -1.5 108 116 A K H X S+ 0 0 89 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.951 110.2 41.6 -52.9 -52.3 10.3 -11.7 -3.5 109 117 A L H >X S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 4,-0.6 0.928 114.2 50.6 -62.7 -50.5 13.1 -9.5 -4.9 110 118 A L H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.825 109.9 50.7 -57.5 -37.8 13.9 -7.8 -1.7 111 119 A S H 3< S+ 0 0 51 -4,-2.4 127,-0.3 1,-0.2 -1,-0.3 0.659 108.8 52.2 -76.3 -17.5 14.2 -11.1 0.2 112 120 A Q H << S+ 0 0 53 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.2 0.478 80.2 118.5 -97.2 -5.3 16.5 -12.5 -2.5 113 121 A F << + 0 0 0 -4,-0.6 2,-0.3 -3,-0.5 -20,-0.1 -0.508 34.2 147.5 -67.9 115.6 19.0 -9.6 -2.3 114 122 A K + 0 0 137 -2,-0.5 2,-0.3 33,-0.1 126,-0.1 -0.980 9.0 151.0-142.9 150.9 22.5 -10.7 -1.2 115 123 A W - 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