==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUL-11 3T6M . COMPND 2 MOLECULE: SUCCINYL-DIAMINOPIMELATE DESUCCINYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR B.NOCEK,M.MAKOWSKA-GRZYSKA,M.GU,R.JEDRZEJCZAK,W.F.ANDERSON, . 263 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 9.5 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 0.8 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 2 1 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 0 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 PARALLEL BRIDGES PER LADDER . 0 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 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 2 A T 0 0 194 0, 0.0 2,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 136.9 2.2 30.2 37.2 2 3 A D - 0 0 70 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.380 360.0-110.2 -66.8 142.2 1.3 32.3 34.1 3 4 A S > - 0 0 32 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.324 35.6-107.2 -52.9 156.7 1.6 30.8 30.7 4 5 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.867 120.4 53.2 -62.4 -32.4 4.5 32.4 28.7 5 6 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.952 112.5 42.7 -66.8 -46.0 2.0 34.3 26.5 6 7 A L H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 112.7 53.7 -67.9 -41.8 0.1 35.8 29.5 7 8 A A H X S+ 0 0 36 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.918 113.5 41.7 -58.8 -47.2 3.4 36.6 31.4 8 9 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.909 111.6 54.7 -69.1 -40.5 4.9 38.5 28.4 9 10 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 109.6 49.4 -57.1 -45.8 1.6 40.3 27.6 10 11 A K H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.920 108.7 51.5 -58.2 -48.0 1.5 41.5 31.2 11 12 A E H < S+ 0 0 79 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.893 111.8 47.3 -58.5 -43.5 5.1 42.8 31.1 12 13 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 5,-0.3 0.923 109.6 52.3 -65.1 -44.0 4.4 44.8 27.9 13 14 A I H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.864 100.5 62.7 -61.1 -35.1 1.2 46.3 29.3 14 15 A S T 3< S+ 0 0 55 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.676 86.6 87.0 -65.2 -16.6 3.0 47.5 32.4 15 16 A R S < S- 0 0 80 -3,-1.4 2,-2.2 -4,-0.5 9,-0.1 -0.757 80.4-137.0 -89.0 123.2 5.2 49.7 30.2 16 17 A Q + 0 0 127 -2,-0.6 2,-1.3 1,-0.1 7,-0.2 -0.436 35.9 165.9 -85.5 74.3 3.6 53.1 29.6 17 18 A S + 0 0 0 -2,-2.2 53,-2.1 -5,-0.3 2,-0.2 -0.311 8.5 174.6 -89.2 53.0 4.4 53.4 25.9 18 19 A V B > -a 70 0A 46 -2,-1.3 3,-2.5 51,-0.2 53,-0.2 -0.487 52.4 -49.3 -67.5 128.8 2.0 56.2 25.1 19 20 A T T 3 S+ 0 0 40 51,-2.1 114,-0.1 1,-0.3 -1,-0.1 -0.022 129.0 4.8 -54.6 133.4 2.6 57.2 21.4 20 21 A P T 3 S+ 0 0 56 0, 0.0 29,-0.5 0, 0.0 -1,-0.3 -0.883 110.6 94.3 -95.4 21.5 5.3 57.7 20.3 21 22 A A < - 0 0 51 -3,-2.5 49,-0.2 49,-0.1 27,-0.1 -0.470 50.4-165.6 -79.9 142.2 7.1 56.7 23.5 22 23 A D > - 0 0 18 -2,-0.1 3,-2.2 47,-0.1 -5,-0.2 0.689 7.6-158.9-101.0 -27.4 8.3 53.0 23.8 23 24 A A T 3 S- 0 0 49 1,-0.3 -6,-0.1 -7,-0.2 -7,-0.1 0.777 71.8 -57.2 53.1 32.7 9.1 52.6 27.6 24 25 A G T 3> S+ 0 0 17 -9,-0.1 4,-1.8 -8,-0.1 -1,-0.3 0.509 102.7 126.4 85.1 3.3 11.4 49.6 26.9 25 26 A C H <> S+ 0 0 0 -3,-2.2 4,-1.9 1,-0.2 5,-0.1 0.920 76.3 46.3 -62.4 -46.5 8.8 47.4 25.1 26 27 A Q H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.887 108.3 56.5 -63.3 -39.4 11.0 46.8 22.1 27 28 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 105.9 52.3 -58.6 -37.1 14.0 46.0 24.3 28 29 A L H X S+ 0 0 12 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.942 113.4 42.8 -62.3 -48.6 11.9 43.3 25.9 29 30 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.904 112.8 53.0 -62.6 -44.1 11.1 41.8 22.5 30 31 A I H X S+ 0 0 12 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.898 105.0 54.4 -61.0 -42.1 14.7 42.2 21.3 31 32 A E H X S+ 0 0 137 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.914 110.8 46.7 -60.6 -42.3 16.1 40.4 24.3 32 33 A R H < S+ 0 0 59 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.891 114.2 47.1 -63.9 -40.2 13.7 37.4 23.5 33 34 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-1.0 0.867 106.2 57.3 -74.2 -37.0 14.6 37.5 19.8 34 35 A K H ><5S+ 0 0 124 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.899 101.5 57.4 -59.1 -37.9 18.4 37.7 20.4 35 36 A A T 3<5S+ 0 0 89 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.1 52.0 -69.1 -18.1 18.2 34.5 22.4 36 37 A L T < 5S- 0 0 30 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.333 125.2 -98.6 -96.2 3.9 16.7 32.8 19.3 37 38 A G T < 5 + 0 0 49 -3,-1.7 2,-0.3 1,-0.3 19,-0.3 0.673 69.7 151.8 88.5 17.7 19.5 33.9 17.0 38 39 A F < - 0 0 10 -5,-2.1 2,-0.4 17,-0.1 -1,-0.3 -0.606 43.1-131.6 -75.6 138.0 17.8 36.9 15.4 39 40 A E E -B 54 0B 93 15,-2.9 15,-2.2 -2,-0.3 2,-0.4 -0.763 28.7-146.8 -83.0 141.1 20.0 39.7 14.1 40 41 A I E +B 53 0B 42 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.921 23.8 179.6-121.6 134.2 18.7 43.0 15.3 41 42 A E E -B 52 0B 78 11,-2.7 11,-2.2 -2,-0.4 2,-0.3 -0.879 12.1-162.4-130.9 103.1 18.7 46.5 13.9 42 43 A S E -B 51 0B 64 -2,-0.4 2,-0.4 9,-0.2 9,-0.3 -0.636 11.3-167.1 -77.4 140.8 17.0 49.2 15.9 43 44 A M E -B 50 0B 12 7,-2.8 7,-1.2 -2,-0.3 2,-0.5 -0.989 7.9-158.2-135.9 121.9 16.2 52.3 13.8 44 45 A V E +B 49 0B 100 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.877 13.2 176.6-102.8 128.9 15.2 55.7 15.3 45 46 A F E > -B 48 0B 25 3,-2.0 3,-2.6 -2,-0.5 95,-0.1 -0.998 63.6 -32.6-129.9 131.9 13.3 58.1 13.0 46 47 A E T 3 S- 0 0 133 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.401 125.7 -31.9 56.8-134.3 12.0 61.4 14.3 47 48 A D T 3 S+ 0 0 86 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.326 119.9 103.2 -93.4 8.2 11.2 60.8 18.0 48 49 A T E < -B 45 0B 10 -3,-2.6 -3,-2.0 -27,-0.1 2,-0.4 -0.696 58.5-148.5-102.7 141.5 10.2 57.2 17.3 49 50 A T E +B 44 0B 39 -29,-0.5 83,-0.5 -2,-0.3 2,-0.3 -0.833 24.6 164.1-109.1 145.2 12.1 53.9 18.0 50 51 A N E -B 43 0B 0 -7,-1.2 -7,-2.8 -2,-0.4 2,-0.3 -0.936 16.8-152.9-143.8 162.0 11.6 50.9 15.7 51 52 A F E -BC 42 130B 0 79,-2.4 79,-2.5 -2,-0.3 2,-0.4 -0.995 10.0-158.5-145.8 153.7 13.4 47.6 15.0 52 53 A W E -BC 41 129B 7 -11,-2.2 -11,-2.7 -2,-0.3 2,-0.4 -0.979 19.7-178.5-115.6 130.8 13.9 45.1 12.3 53 54 A A E -BC 40 128B 0 75,-2.1 75,-1.9 -2,-0.4 2,-0.4 -0.988 1.2-174.4-129.9 144.5 15.0 41.6 13.3 54 55 A R E -BC 39 127B 51 -15,-2.2 -15,-2.9 -2,-0.4 2,-0.4 -0.998 15.4-171.7-143.5 138.7 15.7 38.6 11.1 55 56 A R E + C 0 126B 50 71,-2.5 71,-2.4 -2,-0.4 -17,-0.1 -0.994 64.7 20.3-122.9 122.7 16.5 35.0 11.5 56 57 A G - 0 0 35 -2,-0.4 69,-0.2 -19,-0.3 67,-0.1 -0.113 59.1-132.5 102.6 154.4 17.5 33.1 8.4 57 58 A T S S+ 0 0 116 67,-0.3 2,-0.2 -2,-0.1 68,-0.2 0.437 71.3 92.7-117.1 -7.4 18.9 34.1 5.0 58 59 A Q S S- 0 0 124 66,-0.5 67,-0.0 2,-0.1 0, 0.0 -0.535 74.8 -66.4 -97.0 159.3 16.7 32.1 2.6 59 60 A S S S+ 0 0 89 65,-0.2 65,-0.7 -2,-0.2 2,-0.1 -0.533 97.5 53.8 -74.4 146.9 13.4 32.8 0.8 60 61 A P - 0 0 25 0, 0.0 65,-2.8 0, 0.0 2,-0.7 0.569 67.3-156.5 -81.9 155.1 10.6 33.3 1.7 61 62 A L E -d 125 0B 4 93,-0.4 96,-1.8 63,-0.2 95,-1.7 -0.868 12.8-171.0 -94.7 112.0 10.9 36.1 4.1 62 63 A F E -de 126 157B 0 63,-3.0 65,-3.0 -2,-0.7 2,-0.4 -0.908 6.9-163.8-105.8 131.8 7.9 36.0 6.5 63 64 A V E -de 127 158B 0 94,-2.4 96,-2.5 -2,-0.4 2,-0.5 -0.944 21.2-149.7-126.0 137.4 7.4 38.9 8.9 64 65 A F E -de 128 159B 0 63,-2.6 65,-2.5 -2,-0.4 2,-0.3 -0.918 28.8-170.2 -93.7 124.3 5.4 39.7 12.0 65 66 A A E +de 129 160B 5 94,-2.8 96,-2.1 -2,-0.5 2,-0.3 -0.916 20.8 116.3-119.1 145.9 4.6 43.4 12.1 66 67 A G E -d 130 0B 11 63,-1.9 65,-2.1 -2,-0.3 2,-0.4 -0.976 47.1 -97.5 178.3-172.6 3.1 45.6 14.8 67 68 A H E -d 131 0B 1 -2,-0.3 65,-0.2 63,-0.2 38,-0.2 -0.980 2.7-157.6-134.9 145.6 3.5 48.4 17.2 68 69 A T + 0 0 0 63,-2.7 -51,-0.2 -2,-0.4 64,-0.2 0.554 68.2 96.3 -95.3 -12.1 4.5 48.8 20.8 69 70 A D - 0 0 0 62,-0.5 2,-0.3 -49,-0.1 -51,-0.2 -0.362 55.0-163.6 -79.1 157.2 2.9 52.2 21.3 70 71 A V B -a 18 0A 0 -53,-2.1 -51,-2.1 -49,-0.2 -49,-0.1 -0.945 23.8-102.3-134.0 158.8 -0.6 52.7 22.8 71 72 A V - 0 0 21 -2,-0.3 166,-0.1 29,-0.3 -54,-0.0 -0.377 54.9 -82.3 -73.5 158.7 -3.2 55.5 22.9 72 73 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -55,-0.0 -0.188 36.8-116.2 -60.7 159.7 -3.6 57.5 26.1 73 74 A A - 0 0 12 1,-0.2 167,-0.1 -3,-0.1 -2,-0.1 0.830 42.6-153.7 -65.3 -33.5 -5.7 56.0 28.9 74 75 A G + 0 0 46 165,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.521 58.0 7.2 79.6-160.3 -8.3 58.8 28.8 75 76 A P > - 0 0 64 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.356 59.7-156.9 -65.9 117.1 -10.4 59.6 31.9 76 77 A L G > S+ 0 0 119 -2,-0.3 3,-1.5 1,-0.3 5,-0.1 0.824 89.7 67.0 -62.0 -32.2 -9.0 57.7 34.9 77 78 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.667 98.9 53.1 -60.9 -19.0 -12.4 58.1 36.7 78 79 A Q G < S+ 0 0 105 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.578 90.6 93.8 -92.3 -12.9 -13.9 55.8 34.0 79 80 A W < - 0 0 21 -3,-1.5 160,-0.0 -4,-0.4 -5,-0.0 -0.692 53.3-167.1 -83.9 132.6 -11.3 53.0 34.5 80 81 A H S S+ 0 0 167 -2,-0.4 -1,-0.1 2,-0.1 -3,-0.0 0.573 81.5 32.0 -85.4 -16.4 -12.1 50.2 36.9 81 82 A T S S- 0 0 15 -5,-0.1 159,-0.2 6,-0.0 14,-0.1 -0.921 105.7 -84.4-136.3 158.3 -8.5 49.0 36.9 82 83 A P > - 0 0 57 0, 0.0 3,-2.2 0, 0.0 14,-0.1 -0.542 38.8-136.3 -71.9 127.3 -5.3 50.9 36.5 83 84 A P T 3 S+ 0 0 12 0, 0.0 13,-2.7 0, 0.0 4,-0.1 0.781 100.5 40.4 -58.1 -30.4 -4.8 51.4 32.8 84 85 A F T 3 S+ 0 0 31 11,-0.2 11,-0.1 -70,-0.1 -68,-0.1 0.097 98.5 83.1-107.1 24.0 -1.1 50.6 32.9 85 86 A E S < S- 0 0 119 -3,-2.2 2,-0.2 -70,-0.0 9,-0.1 -0.980 84.4-125.6-120.0 115.3 -1.2 47.7 35.4 86 87 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.453 34.0-168.6 -61.7 124.6 -2.1 44.4 33.7 87 88 A T E -I 94 0C 30 7,-2.2 7,-3.5 -2,-0.2 2,-0.5 -0.983 11.5-153.5-129.0 118.3 -5.2 43.3 35.7 88 89 A V E +I 93 0C 69 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.834 22.1 164.9 -98.2 121.3 -6.6 39.7 35.4 89 90 A I E > -I 92 0C 70 3,-2.5 3,-1.9 -2,-0.5 -2,-0.1 -0.970 67.3 -23.6-138.8 118.6 -10.3 39.4 36.2 90 91 A D T 3 S- 0 0 153 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.837 127.5 -44.4 48.4 47.5 -12.5 36.3 35.3 91 92 A G T 3 S+ 0 0 40 1,-0.2 154,-2.6 153,-0.1 155,-0.5 0.520 116.1 109.9 80.5 5.1 -10.2 35.2 32.4 92 93 A F E < -IJ 89 244C 63 -3,-1.9 -3,-2.5 152,-0.2 2,-0.7 -0.947 60.3-141.2-114.0 141.5 -9.7 38.7 30.9 93 94 A L E -IJ 88 243C 0 150,-2.9 150,-1.8 -2,-0.4 2,-0.4 -0.875 23.4-159.1-100.2 114.9 -6.6 40.7 30.9 94 95 A H E +IJ 87 242C 34 -7,-3.5 -7,-2.2 -2,-0.7 148,-0.3 -0.782 35.9 91.0 -99.0 139.1 -7.4 44.4 31.4 95 96 A G S > S- 0 0 0 146,-2.8 3,-2.3 -2,-0.4 4,-0.3 -0.667 77.6 -65.9 154.2 154.9 -5.1 47.3 30.5 96 97 A R T 3 S+ 0 0 5 -13,-2.7 -23,-0.1 1,-0.3 140,-0.1 -0.385 122.9 19.1 -57.7 129.9 -4.2 49.8 27.8 97 98 A G T 3 >S+ 0 0 0 -2,-0.1 5,-2.0 3,-0.1 6,-1.1 0.319 84.8 120.2 87.5 -5.8 -2.8 47.8 24.9 98 99 A A T < >S+ 0 0 0 -3,-2.3 5,-0.7 1,-0.2 6,-0.2 0.915 95.9 15.6 -56.0 -43.9 -4.2 44.5 26.0 99 100 A A T 5S+ 0 0 0 -4,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.773 119.4 70.4 -94.9 -37.4 -6.1 44.3 22.6 100 101 A D T 5S- 0 0 5 1,-0.1 -29,-0.3 62,-0.1 -1,-0.2 -0.790 125.3 -63.2-125.4 86.4 -4.3 47.0 20.6 101 102 A M T >5S+ 0 0 0 -2,-0.4 4,-2.0 60,-0.2 -3,-0.2 -0.799 111.2 91.5-145.4 36.0 -1.8 45.3 20.4 102 103 A K H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.893 108.4 55.2 -54.4 -44.7 -0.6 40.1 19.8 105 106 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.910 107.8 48.9 -58.0 -42.9 3.0 41.0 20.3 106 107 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.920 110.1 52.1 -62.3 -41.6 3.3 38.5 23.1 107 108 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.868 107.7 52.2 -60.1 -39.8 1.7 35.9 20.9 108 109 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.935 111.1 46.8 -63.8 -45.9 4.1 36.5 18.1 109 110 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.949 115.6 43.6 -63.5 -48.3 7.1 36.1 20.4 110 111 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.900 111.8 54.1 -66.8 -38.9 5.9 32.9 22.0 111 112 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.920 110.7 46.5 -60.0 -41.9 4.7 31.4 18.7 112 113 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.909 110.7 52.9 -70.2 -38.1 8.2 32.0 17.2 113 114 A E H X S+ 0 0 47 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.942 113.5 42.7 -57.7 -47.6 9.8 30.5 20.3 114 115 A R H X S+ 0 0 78 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.898 114.6 50.9 -66.7 -41.0 7.7 27.4 20.0 115 116 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 3,-0.2 0.922 110.9 46.9 -61.4 -49.2 8.2 27.2 16.2 116 117 A I H < S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 107.9 58.0 -66.6 -31.5 12.0 27.5 16.4 117 118 A A H < S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.896 118.0 31.9 -61.9 -38.9 12.0 24.8 19.2 118 119 A E H < S+ 0 0 120 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.778 133.5 30.3 -86.5 -31.7 10.3 22.3 16.9 119 120 A H >< + 0 0 36 -4,-2.9 3,-1.3 -5,-0.2 -1,-0.2 -0.558 59.8 154.5-132.8 65.4 11.8 23.6 13.6 120 121 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.843 82.4 50.9 -64.9 -28.0 15.3 25.0 14.2 121 122 A D T 3 S+ 0 0 129 -3,-0.1 -5,-0.0 -5,-0.0 -2,-0.0 -0.191 86.3 161.4 -98.7 35.8 16.2 24.2 10.6 122 123 A H < - 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