==== 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 TRANSFERASE 29-MAR-01 1IBS . COMPND 2 MOLECULE: RIBOSE-PHOSPHATE PYROPHOSPHOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR T.A.ERIKSEN,A.KADZIOLA,S.LARSEN . 596 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 1 1 0 1 1 4 5 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 6 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 . 2 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 2 2 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 8 A N 0 0 134 0, 0.0 49,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 25.5 8.2 75.8 25.1 2 9 A L E -a 50 0A 31 47,-0.2 2,-0.4 49,-0.1 49,-0.2 -0.857 360.0-179.2-103.0 127.5 11.5 75.7 27.1 3 10 A K E -a 51 0A 53 47,-2.1 49,-2.8 -2,-0.5 2,-0.4 -0.949 7.6-162.4-123.1 138.1 12.6 78.7 29.1 4 11 A I E -ab 52 25A 0 20,-0.5 22,-3.2 -2,-0.4 2,-0.3 -0.973 6.3-169.5-123.6 138.7 15.8 78.9 31.2 5 12 A F E -a 53 0A 0 47,-2.7 49,-2.5 -2,-0.4 2,-0.4 -0.926 10.6-153.4-126.0 153.4 16.5 81.4 33.9 6 13 A S E -a 54 0A 20 -2,-0.3 49,-0.1 20,-0.2 2,-0.1 -0.961 8.8-166.9-123.8 135.4 19.6 82.4 35.8 7 14 A L - 0 0 4 47,-1.4 7,-0.1 -2,-0.4 57,-0.1 -0.054 48.3 -76.1 -98.1-145.7 19.4 83.9 39.3 8 15 A N S S+ 0 0 87 1,-0.1 47,-0.1 -2,-0.1 56,-0.1 0.720 105.3 83.3 -95.5 -13.6 22.5 85.5 40.8 9 16 A S S S- 0 0 7 1,-0.2 254,-0.2 45,-0.1 -1,-0.1 0.930 111.5 -5.4 -54.4 -61.9 24.7 82.6 41.9 10 17 A N > + 0 0 8 44,-0.3 4,-2.2 1,-0.1 -1,-0.2 -0.577 66.3 161.5-140.7 73.1 26.5 81.6 38.8 11 18 A P H > S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.856 76.7 57.9 -61.1 -37.2 25.3 83.6 35.7 12 19 A E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.943 110.0 45.2 -61.4 -43.1 28.5 82.9 33.6 13 20 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 111.9 53.8 -64.3 -42.2 27.8 79.3 34.0 14 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.884 108.4 46.3 -61.6 -42.1 24.1 79.8 33.2 15 22 A K H X S+ 0 0 74 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.960 109.5 55.7 -67.2 -44.1 24.7 81.7 29.9 16 23 A E H X S+ 0 0 63 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.913 111.0 45.1 -50.9 -46.3 27.2 79.0 28.8 17 24 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.944 111.4 52.4 -62.5 -48.1 24.5 76.4 29.4 18 25 A A H X>S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-1.8 0.864 110.4 48.2 -57.0 -41.7 21.8 78.5 27.6 19 26 A D H <5S+ 0 0 97 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.966 109.0 52.8 -66.8 -50.2 24.0 78.9 24.6 20 27 A I H <5S+ 0 0 86 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.955 117.4 37.8 -52.3 -52.4 24.9 75.2 24.4 21 28 A V H <5S- 0 0 33 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.933 116.0-114.0 -67.3 -44.4 21.2 74.3 24.4 22 29 A G T <5 + 0 0 55 -4,-3.1 2,-0.3 -5,-0.3 -3,-0.2 0.810 67.2 100.5 115.1 48.6 20.0 77.2 22.3 23 30 A V < - 0 0 48 -5,-1.8 2,-0.5 3,-0.0 -1,-0.2 -0.905 65.3 -98.9-148.3 175.6 17.8 79.7 24.0 24 31 A Q - 0 0 164 -2,-0.3 -20,-0.5 1,-0.0 3,-0.1 -0.882 43.3-106.9-105.3 133.4 17.7 83.1 25.6 25 32 A L B -b 4 0A 46 -2,-0.5 -20,-0.2 1,-0.1 3,-0.1 -0.283 56.0 -88.5 -52.4 138.6 17.8 83.4 29.4 26 33 A G - 0 0 16 -22,-3.2 2,-1.1 1,-0.1 -20,-0.2 0.036 32.8-109.0 -54.3 155.9 14.4 84.4 30.5 27 34 A K + 0 0 109 -3,-0.1 16,-1.1 -22,-0.1 2,-0.3 -0.791 67.9 134.8 -85.7 98.3 13.1 88.0 30.8 28 35 A C E -F 42 0B 32 -2,-1.1 2,-0.5 14,-0.3 14,-0.3 -0.994 48.0-138.1-149.0 149.0 13.0 88.3 34.6 29 36 A S E -F 41 0B 30 12,-2.8 12,-2.0 -2,-0.3 2,-0.6 -0.888 12.4-178.0-111.9 123.4 14.0 90.8 37.3 30 37 A V E +F 40 0B 30 -2,-0.5 10,-0.2 10,-0.2 2,-0.1 -0.859 35.4 156.9-117.8 85.1 15.6 89.5 40.5 31 38 A T E -F 39 0B 74 8,-1.8 8,-1.0 -2,-0.6 2,-0.3 -0.142 34.9-129.2 -95.8-165.0 15.9 93.0 42.2 32 39 A R E -F 38 0B 104 6,-0.3 6,-0.2 7,-0.1 2,-0.2 -0.987 10.3-138.3-155.0 141.4 16.1 94.4 45.7 33 40 A F - 0 0 96 4,-2.0 6,-0.0 -2,-0.3 0, 0.0 -0.520 44.2 -88.9 -92.6 172.5 14.2 97.1 47.6 34 41 A S S S+ 0 0 136 -2,-0.2 -1,-0.0 2,-0.1 0, 0.0 0.837 123.0 50.1 -50.4 -46.5 16.0 99.7 49.9 35 42 A D S S- 0 0 107 2,-0.1 -3,-0.0 1,-0.0 -1,-0.0 0.872 121.3 -89.8 -59.8-101.2 15.7 97.4 52.9 36 43 A G S S+ 0 0 40 2,-0.0 2,-0.3 -4,-0.0 -2,-0.1 0.283 79.3 127.5-163.1 12.5 17.0 94.1 51.8 37 44 A E - 0 0 122 1,-0.1 -4,-2.0 2,-0.0 2,-0.3 -0.578 56.6-120.6 -84.3 141.2 14.1 92.1 50.4 38 45 A V E -F 32 0B 19 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.3 -0.560 17.7-156.9 -81.9 133.8 14.2 90.6 46.9 39 46 A Q E -F 31 0B 93 -8,-1.0 -8,-1.8 -2,-0.3 2,-0.4 -0.832 8.3-169.5-117.8 100.0 11.7 91.7 44.3 40 47 A I E +F 30 0B 14 -2,-0.7 2,-0.3 -10,-0.2 -10,-0.2 -0.654 8.8 174.2 -82.2 132.6 11.2 89.1 41.6 41 48 A N E -F 29 0B 78 -12,-2.0 -12,-2.8 -2,-0.4 2,-0.8 -0.883 24.4-142.5-145.0 106.2 9.2 90.3 38.6 42 49 A I E -F 28 0B 33 -2,-0.3 -14,-0.3 -14,-0.3 2,-0.1 -0.666 8.5-155.0 -74.2 110.4 8.9 87.9 35.6 43 50 A E + 0 0 104 -16,-1.1 2,-0.3 -2,-0.8 -15,-0.2 0.087 67.6 37.2 -76.9 18.9 9.0 90.1 32.6 44 51 A E S S- 0 0 70 -17,-0.2 2,-0.3 -2,-0.1 -2,-0.0 -0.946 87.3 -92.0-169.5 151.2 7.1 87.7 30.3 45 52 A S + 0 0 96 -2,-0.3 -2,-0.1 1,-0.2 33,-0.0 -0.513 35.2 168.1 -69.3 124.8 4.3 85.2 30.1 46 53 A I > + 0 0 3 -2,-0.3 3,-3.1 32,-0.3 35,-0.4 0.088 21.4 153.1-121.4 15.7 5.6 81.6 30.8 47 54 A R T 3 S+ 0 0 177 1,-0.3 33,-0.2 33,-0.1 32,-0.1 -0.259 76.2 2.3 -52.0 119.1 2.0 80.2 31.1 48 55 A G T 3 S+ 0 0 34 31,-2.3 -1,-0.3 1,-0.2 32,-0.2 0.456 103.8 128.8 80.2 2.1 2.3 76.6 30.2 49 56 A C < - 0 0 3 -3,-3.1 32,-3.0 30,-0.1 33,-1.3 -0.302 63.9-118.5 -86.6 169.0 6.0 76.6 29.6 50 57 A D E -ac 2 82A 22 -49,-2.8 -47,-2.1 31,-0.2 2,-0.4 -0.943 36.5-161.6-108.2 103.6 8.7 74.2 31.0 51 58 A C E -ac 3 83A 0 31,-2.1 33,-3.1 -2,-0.7 2,-0.4 -0.772 10.2-164.5 -95.3 130.4 11.0 76.5 33.1 52 59 A Y E -ac 4 84A 5 -49,-2.8 -47,-2.7 -2,-0.4 2,-0.5 -0.939 7.1-159.7-110.8 130.8 14.5 75.5 34.1 53 60 A I E -ac 5 85A 0 31,-2.5 33,-3.0 -2,-0.4 2,-0.6 -0.964 2.6-154.9-116.1 128.7 16.2 77.5 36.9 54 61 A I E +ac 6 86A 3 -49,-2.5 -47,-1.4 -2,-0.5 2,-0.3 -0.877 31.0 141.2-104.3 119.6 19.9 77.5 37.3 55 62 A Q - 0 0 0 31,-2.4 2,-0.4 -2,-0.6 34,-0.3 -0.934 36.6-153.8-163.2 130.0 21.4 78.3 40.7 56 63 A S - 0 0 1 -2,-0.3 2,-1.0 31,-0.2 34,-0.2 -0.839 22.4-138.5 -96.7 137.4 24.1 77.2 43.0 57 64 A T + 0 0 0 32,-2.6 4,-0.1 -2,-0.4 2,-0.1 -0.418 56.9 138.0 -95.7 59.6 23.4 77.8 46.6 58 65 A S - 0 0 10 -2,-1.0 6,-0.3 1,-0.2 7,-0.1 -0.396 50.9 -3.3 -92.4 175.2 26.9 79.0 47.2 59 66 A D S S+ 0 0 143 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.1 -0.129 132.6 33.0 -48.3 125.5 28.0 82.0 49.3 60 67 A P S > S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.367 81.7 177.3 -90.2 124.9 25.9 83.6 50.5 61 68 A V H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 74.9 51.5 -55.0 -46.1 23.8 80.5 50.8 62 69 A N H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.833 110.5 47.8 -66.0 -32.2 20.8 82.0 52.5 63 70 A E H > S+ 0 0 81 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.907 114.3 45.8 -73.6 -43.1 20.4 84.8 50.0 64 71 A H H X S+ 0 0 18 -4,-1.9 4,-2.3 -6,-0.3 -2,-0.2 0.902 111.3 53.2 -67.7 -37.4 20.6 82.5 47.1 65 72 A I H X S+ 0 0 15 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.960 109.9 48.6 -62.6 -47.1 18.3 80.0 48.7 66 73 A M H X S+ 0 0 96 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.851 110.5 47.7 -63.7 -38.9 15.7 82.6 49.2 67 74 A E H X S+ 0 0 3 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.930 110.7 53.6 -70.2 -36.8 15.7 84.1 45.8 68 75 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.954 111.8 45.0 -57.4 -51.6 15.5 80.6 44.3 69 76 A L H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.821 113.0 49.9 -60.5 -40.8 12.4 79.9 46.4 70 77 A I H X S+ 0 0 51 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.902 109.4 51.8 -68.7 -37.4 10.8 83.2 45.6 71 78 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.968 109.4 50.1 -62.6 -50.4 11.4 82.6 41.9 72 79 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.3 5,-0.3 0.938 110.2 50.1 -52.1 -48.3 9.8 79.2 42.2 73 80 A D H X S+ 0 0 55 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.904 109.7 50.4 -58.7 -42.2 6.9 80.7 43.9 74 81 A A H X S+ 0 0 25 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.963 113.7 45.8 -61.1 -48.4 6.5 83.4 41.2 75 82 A L H <>S+ 0 0 0 -4,-2.8 5,-1.8 2,-0.2 -2,-0.2 0.904 112.9 48.7 -60.5 -48.7 6.6 80.8 38.5 76 83 A K H ><5S+ 0 0 94 -4,-3.2 3,-1.9 1,-0.2 -1,-0.2 0.955 113.4 47.0 -58.4 -49.1 4.1 78.5 40.2 77 84 A R H 3<5S+ 0 0 172 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 108.8 56.4 -64.9 -24.8 1.8 81.3 40.8 78 85 A A T 3<5S- 0 0 40 -4,-1.7 -32,-0.3 -5,-0.2 -1,-0.3 0.199 120.2-107.1 -90.0 11.1 2.2 82.4 37.3 79 86 A S T < 5 + 0 0 54 -3,-1.9 -31,-2.3 -32,-0.1 -3,-0.2 0.785 50.6 173.7 69.9 36.8 1.1 78.9 35.9 80 87 A A < - 0 0 18 -5,-1.8 -30,-0.2 -33,-0.2 3,-0.1 -0.312 31.8-136.3 -65.1 156.8 4.4 77.4 34.7 81 88 A K S S+ 0 0 137 -32,-3.0 2,-0.3 1,-0.4 -31,-0.2 0.902 84.6 5.4 -83.3 -45.1 3.8 73.8 33.6 82 89 A T E -c 50 0A 26 -33,-1.3 -31,-2.1 2,-0.1 2,-0.5 -0.969 60.3-156.6-136.7 148.5 6.9 72.5 35.2 83 90 A I E -c 51 0A 5 -2,-0.3 36,-3.3 34,-0.2 37,-0.9 -0.968 22.1-174.6-125.7 104.8 9.5 74.3 37.4 84 91 A N E -cd 52 120A 4 -33,-3.1 -31,-2.5 -2,-0.5 2,-0.4 -0.941 11.9-146.6-111.6 130.4 12.7 72.3 37.2 85 92 A I E -cd 53 121A 0 35,-2.6 37,-2.4 -2,-0.5 2,-0.6 -0.790 8.2-166.3-103.7 130.7 15.8 73.2 39.3 86 93 A V E -cd 54 122A 1 -33,-3.0 -31,-2.4 -2,-0.4 37,-0.2 -0.949 11.2-176.7-112.4 109.5 19.4 72.8 38.1 87 94 A I E + d 0 123A 0 35,-3.2 37,-1.1 -2,-0.6 3,-0.2 -0.867 15.0 179.0-116.6 97.8 21.7 73.0 41.1 88 95 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.825 83.8 28.2 -62.8 -34.1 25.4 72.9 40.2 89 96 A Y S S- 0 0 13 -34,-0.3 -32,-2.6 172,-0.2 2,-1.1 -0.910 72.4-154.7-136.3 111.8 26.3 73.3 43.9 90 97 A Y > - 0 0 5 34,-0.4 3,-1.1 -2,-0.4 37,-0.3 -0.698 19.6-152.2 -87.1 97.0 24.0 72.1 46.7 91 98 A G T 3 S+ 0 0 1 -2,-1.1 -33,-0.1 1,-0.2 -2,-0.0 -0.275 76.4 29.1 -64.0 156.3 24.8 74.3 49.7 92 99 A Y T > S+ 0 0 81 1,-0.1 3,-1.3 -35,-0.1 14,-0.6 0.452 79.4 127.4 69.3 6.9 24.2 72.8 53.2 93 100 A A T < + 0 0 3 -3,-1.1 3,-0.2 1,-0.3 -2,-0.1 0.517 63.3 63.1 -71.2 -6.3 24.8 69.3 51.9 94 101 A R T 3 S+ 0 0 102 1,-0.2 2,-1.3 33,-0.1 -1,-0.3 0.663 88.1 71.6 -89.1 -19.1 27.5 68.6 54.6 95 102 A Q < + 0 0 52 -3,-1.3 11,-2.0 1,-0.2 12,-0.4 -0.635 62.6 127.2 -95.4 70.9 24.8 69.0 57.3 96 103 A D + 0 0 2 -2,-1.3 339,-0.4 -3,-0.2 2,-0.3 0.315 67.8 18.4-108.4 -0.2 23.2 65.7 56.3 97 104 A R 0 0 118 -3,-0.2 8,-0.1 6,-0.2 335,-0.1 -0.923 360.0 360.0-157.2 179.2 23.2 63.9 59.7 98 105 A K 0 0 85 333,-0.3 6,-0.1 -2,-0.3 336,-0.0 -0.873 360.0 360.0 -99.2 360.0 23.4 64.6 63.5 99 ! 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 0.0 100 108 A S 0 0 95 0, 0.0 -2,-0.1 0, 0.0 498,-0.0 0.000 360.0 360.0 360.0 -27.3 24.8 65.9 68.7 101 109 A R + 0 0 193 2,-0.1 -3,-0.0 497,-0.0 497,-0.0 -0.468 360.0 117.9-150.7 77.4 21.8 68.3 68.9 102 110 A E - 0 0 97 1,-0.1 2,-0.1 0, 0.0 -4,-0.0 -0.758 60.0 -97.8-142.5 171.3 21.5 69.9 65.5 103 111 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.373 23.2-133.2 -89.7 172.7 19.4 70.5 62.4 104 112 A I >> + 0 0 34 1,-0.1 4,-2.0 -8,-0.1 3,-1.6 -0.724 29.6 177.5-123.4 72.5 19.7 68.5 59.1 105 113 A T H 3> S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.810 73.5 63.2 -52.3 -35.7 19.7 71.5 56.7 106 114 A A H 3> S+ 0 0 0 -11,-2.0 4,-1.4 -14,-0.6 -1,-0.3 0.900 110.5 41.7 -59.9 -33.7 20.1 69.5 53.6 107 115 A K H <> S+ 0 0 7 -3,-1.6 4,-2.3 -12,-0.4 -2,-0.2 0.919 110.5 54.6 -79.2 -42.2 16.8 67.9 54.4 108 116 A L H X S+ 0 0 101 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.942 108.5 52.4 -55.5 -42.5 15.1 71.1 55.5 109 117 A F H X S+ 0 0 3 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.907 105.9 51.1 -58.6 -47.9 16.1 72.6 52.2 110 118 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.969 111.7 49.0 -54.0 -50.9 14.6 69.7 50.2 111 119 A N H X S+ 0 0 40 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.823 111.1 49.9 -59.4 -34.1 11.4 70.2 52.1 112 120 A L H X S+ 0 0 66 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.952 109.9 49.9 -70.6 -44.8 11.4 73.9 51.4 113 121 A L H X>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-1.4 0.851 112.1 47.1 -62.0 -39.2 12.0 73.5 47.7 114 122 A E H <5S+ 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.881 112.3 50.5 -71.1 -36.6 9.2 71.0 47.4 115 123 A T H <5S+ 0 0 112 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 106.4 55.2 -64.1 -44.7 6.9 73.3 49.4 116 124 A A H <5S- 0 0 15 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.854 128.6 -96.2 -56.8 -40.1 7.8 76.2 47.2 117 125 A G T <5 + 0 0 18 -4,-1.4 -3,-0.2 -5,-0.2 -34,-0.2 0.617 59.4 164.7 132.8 19.9 6.7 74.2 44.2 118 126 A A < - 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