==== 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 3T68 . COMPND 2 MOLECULE: SUCCINYL-DIAMINOPIMELATE DESUCCINYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR B.NOCEK,M.MAKOWSKA-GRZYSKA,M.GU,R.JEDRZEJCZAK,W.F.ANDERSON, . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.0 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 . 16 6.1 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 . 77 29.2 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 1 2 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 3 3 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 . 1 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 0 197 0, 0.0 2,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 141.8 22.8 13.1 37.2 2 3 A D - 0 0 69 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.322 360.0-111.6 -63.4 136.9 23.6 11.0 34.2 3 4 A S > - 0 0 31 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.314 35.4-108.9 -43.2 155.5 23.4 12.4 30.7 4 5 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.832 119.7 54.3 -67.3 -33.3 20.5 10.9 28.9 5 6 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 112.2 42.6 -62.1 -50.3 22.9 8.9 26.6 6 7 A L H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 112.4 54.4 -66.0 -41.4 24.8 7.4 29.6 7 8 A A H X S+ 0 0 44 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.917 113.7 41.3 -58.8 -47.3 21.5 6.7 31.5 8 9 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.890 111.3 54.5 -70.8 -39.5 20.1 4.7 28.5 9 10 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.943 110.3 49.6 -58.5 -43.6 23.3 2.9 27.7 10 11 A K H X S+ 0 0 46 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.924 108.8 50.3 -59.4 -46.9 23.3 1.7 31.3 11 12 A E H < S+ 0 0 81 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.910 111.7 48.6 -63.1 -40.5 19.8 0.5 31.2 12 13 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 5,-0.2 0.921 109.0 52.3 -61.1 -46.1 20.5 -1.5 28.0 13 14 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.863 100.7 62.9 -61.7 -34.0 23.7 -3.1 29.4 14 15 A S T 3< S+ 0 0 45 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.666 85.9 85.8 -66.3 -15.3 21.8 -4.3 32.5 15 16 A R S < S- 0 0 67 -3,-1.5 2,-2.4 -4,-0.4 9,-0.1 -0.762 81.6-135.5 -93.0 123.5 19.6 -6.5 30.3 16 17 A Q + 0 0 127 -2,-0.6 2,-1.3 1,-0.2 7,-0.2 -0.446 35.5 167.2 -84.2 73.5 21.2 -9.9 29.7 17 18 A S + 0 0 0 -2,-2.4 53,-2.1 -5,-0.2 2,-0.2 -0.302 7.3 173.7 -87.0 55.7 20.5 -10.1 26.0 18 19 A V B > -a 70 0A 48 -2,-1.3 3,-2.3 51,-0.2 53,-0.2 -0.499 52.1 -50.1 -69.2 130.5 22.8 -13.0 25.2 19 20 A T T 3 S+ 0 0 25 51,-2.0 114,-0.1 1,-0.3 -1,-0.1 0.004 128.8 6.0 -56.2 137.5 22.2 -13.9 21.5 20 21 A P T 3 S+ 0 0 42 0, 0.0 29,-0.5 0, 0.0 -1,-0.3 -0.902 111.1 94.1 -91.1 18.8 19.5 -14.5 20.3 21 22 A A < - 0 0 52 -3,-2.3 49,-0.2 49,-0.1 27,-0.1 -0.362 49.5-166.4 -79.6 141.5 17.8 -13.4 23.6 22 23 A D > - 0 0 16 47,-0.1 3,-2.1 -3,-0.1 -5,-0.2 0.691 9.3-158.2 -97.6 -25.2 16.6 -9.7 23.8 23 24 A A T 3 S- 0 0 50 1,-0.3 -6,-0.1 -7,-0.2 -7,-0.1 0.804 71.6 -57.3 51.7 33.9 15.8 -9.3 27.6 24 25 A G T 3> S+ 0 0 17 -9,-0.1 4,-1.6 -8,-0.1 -1,-0.3 0.523 103.7 125.3 84.5 0.3 13.5 -6.3 27.0 25 26 A C H <> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 5,-0.2 0.914 75.4 47.6 -61.1 -47.2 16.1 -4.1 25.3 26 27 A Q H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.892 108.0 57.0 -60.5 -40.8 13.9 -3.6 22.2 27 28 A D H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 104.4 52.4 -55.4 -38.2 11.0 -2.8 24.4 28 29 A L H X S+ 0 0 36 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.939 113.2 44.0 -63.2 -49.0 13.0 0.0 26.0 29 30 A M H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 111.5 53.0 -63.7 -41.8 13.8 1.5 22.6 30 31 A I H X S+ 0 0 23 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.923 105.3 54.9 -63.2 -40.1 10.2 1.1 21.3 31 32 A E H X S+ 0 0 86 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.918 110.7 46.5 -57.8 -44.5 8.8 3.0 24.4 32 33 A R H X S+ 0 0 72 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.893 114.6 45.8 -64.9 -39.2 11.2 5.9 23.5 33 34 A L H ><>S+ 0 0 4 -4,-2.1 5,-2.2 1,-0.2 3,-0.9 0.861 106.3 58.2 -78.9 -34.2 10.3 5.9 19.9 34 35 A K H ><5S+ 0 0 132 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.916 101.8 57.3 -60.5 -37.0 6.5 5.6 20.4 35 36 A A H 3<5S+ 0 0 89 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.718 105.0 52.4 -66.5 -20.0 6.8 8.9 22.5 36 37 A L T <<5S- 0 0 30 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.271 125.4 -98.4 -95.4 3.5 8.3 10.5 19.4 37 38 A G T < 5 + 0 0 50 -3,-1.9 2,-0.3 1,-0.3 19,-0.3 0.659 69.5 151.8 89.9 15.2 5.5 9.5 17.0 38 39 A F < - 0 0 10 -5,-2.2 2,-0.4 17,-0.1 -1,-0.3 -0.606 43.1-131.9 -78.9 136.0 7.1 6.4 15.4 39 40 A E E -B 54 0B 93 15,-2.8 15,-2.1 -2,-0.3 2,-0.4 -0.746 28.9-148.4 -78.1 138.1 4.9 3.6 14.1 40 41 A I E -B 53 0B 46 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.921 22.5-179.1-118.6 135.6 6.2 0.3 15.4 41 42 A E - 0 0 67 11,-3.0 2,-0.3 -2,-0.4 -2,-0.0 -0.917 12.2-161.5-128.3 105.2 6.2 -3.2 13.9 42 43 A S - 0 0 70 -2,-0.4 2,-0.4 7,-0.0 7,-0.0 -0.701 11.0-168.0 -84.5 138.9 7.8 -5.9 16.0 43 44 A M - 0 0 21 7,-2.8 7,-0.9 -2,-0.3 2,-0.5 -0.989 8.1-159.3-133.0 119.8 8.7 -9.0 13.9 44 45 A V E +I 49 0C 99 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.882 12.2 177.9-100.1 129.5 9.6 -12.3 15.3 45 46 A F E > -I 48 0C 26 3,-1.8 3,-1.8 -2,-0.5 2,-0.1 -0.995 64.8 -30.4-130.7 131.2 11.6 -14.7 13.1 46 47 A E T 3 S- 0 0 130 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.477 125.2 -35.0 55.4-133.8 12.8 -18.1 14.4 47 48 A D T 3 S+ 0 0 132 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.051 119.0 99.0-102.6 27.0 13.4 -17.5 18.2 48 49 A T E < -I 45 0C 4 -3,-1.8 -3,-1.8 -27,-0.1 2,-0.3 -0.893 62.3-141.1-116.1 147.3 14.6 -13.9 17.7 49 50 A T E I 44 0C 38 -29,-0.5 83,-0.6 -2,-0.4 -5,-0.2 -0.742 360.0 360.0-111.3 148.0 12.8 -10.6 18.1 50 51 A N 0 0 4 -7,-0.9 -7,-2.8 -2,-0.3 81,-0.2 -0.960 360.0 360.0-145.1 360.0 13.2 -7.6 15.8 51 ! 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 52 53 A W 0 0 14 0, 0.0 -11,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.1 11.0 -1.8 12.4 53 54 A A E -BC 40 128B 4 75,-1.9 75,-2.0 -13,-0.2 2,-0.4 -0.995 360.0-174.6-132.9 145.3 9.9 1.7 13.3 54 55 A R E -BC 39 127B 48 -15,-2.1 -15,-2.8 -2,-0.4 2,-0.4 -0.993 14.8-172.4-144.4 138.0 9.2 4.7 11.2 55 56 A R E + C 0 126B 46 71,-2.7 71,-2.6 -2,-0.4 -17,-0.1 -0.995 64.5 22.7-124.8 123.1 8.4 8.3 11.6 56 57 A G - 0 0 34 -2,-0.4 69,-0.1 -19,-0.3 67,-0.1 -0.073 58.8-134.1 105.0 152.8 7.5 10.2 8.4 57 58 A T S S+ 0 0 114 67,-0.2 2,-0.2 2,-0.1 68,-0.2 0.442 71.7 89.8-117.3 -7.2 6.1 9.2 5.1 58 59 A Q S S- 0 0 126 66,-0.5 0, 0.0 2,-0.1 0, 0.0 -0.541 75.8 -67.0 -96.6 159.8 8.3 11.2 2.7 59 60 A S S S+ 0 0 95 65,-0.2 65,-0.7 -2,-0.2 2,-0.1 -0.525 96.7 55.5 -80.5 152.1 11.5 10.4 0.9 60 61 A P - 0 0 30 0, 0.0 65,-2.6 0, 0.0 2,-0.7 0.575 66.9-156.1 -83.2 155.4 14.3 10.0 1.7 61 62 A L E -d 125 0B 3 94,-0.4 97,-1.9 63,-0.2 96,-1.7 -0.860 12.3-169.4 -93.8 113.8 13.9 7.2 4.2 62 63 A F E -de 126 158B 0 63,-2.8 65,-2.8 -2,-0.7 2,-0.4 -0.895 8.2-163.7-107.2 128.0 17.0 7.3 6.6 63 64 A V E -de 127 159B 0 95,-2.3 97,-2.3 -2,-0.4 2,-0.5 -0.962 20.6-149.5-123.3 136.0 17.5 4.3 8.9 64 65 A F E -de 128 160B 0 63,-2.4 65,-2.6 -2,-0.4 2,-0.4 -0.896 27.9-169.6 -91.2 122.6 19.4 3.5 12.0 65 66 A A E +de 129 161B 5 95,-2.9 97,-2.1 -2,-0.5 2,-0.3 -0.925 21.1 115.0-116.2 147.2 20.3 -0.1 12.1 66 67 A G E -d 130 0B 11 63,-2.0 65,-2.0 -2,-0.4 2,-0.4 -0.981 47.0 -97.3 179.4-168.0 21.7 -2.3 14.8 67 68 A H E -d 131 0B 0 -2,-0.3 65,-0.2 63,-0.2 38,-0.1 -0.982 2.9-157.5-139.8 147.3 21.3 -5.2 17.2 68 69 A T + 0 0 0 63,-2.5 -51,-0.2 -2,-0.4 64,-0.2 0.539 67.7 97.2 -95.7 -15.4 20.4 -5.5 20.9 69 70 A D - 0 0 0 62,-0.5 2,-0.3 -49,-0.1 -51,-0.2 -0.355 53.5-165.7 -76.0 155.4 22.0 -9.0 21.4 70 71 A V B -a 18 0A 1 -53,-2.1 -51,-2.0 -49,-0.2 -49,-0.1 -0.927 24.2-102.6-135.9 158.2 25.5 -9.4 22.9 71 72 A V - 0 0 24 -2,-0.3 65,-0.1 29,-0.2 167,-0.1 -0.394 54.0 -80.1 -73.1 162.9 28.0 -12.3 23.0 72 73 A P - 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -55,-0.0 -0.180 37.1-117.0 -63.2 162.2 28.4 -14.2 26.2 73 74 A A - 0 0 12 1,-0.2 168,-0.1 -3,-0.1 -2,-0.1 0.821 42.0-152.7 -66.1 -35.8 30.5 -12.9 29.0 74 75 A G + 0 0 46 166,-0.1 2,-0.4 3,-0.0 -1,-0.2 -0.489 56.8 3.8 80.6-164.1 33.1 -15.6 29.0 75 76 A P > - 0 0 68 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.380 60.1-155.2 -65.9 121.7 35.1 -16.6 32.1 76 77 A L G > S+ 0 0 116 -2,-0.4 3,-1.4 1,-0.3 5,-0.1 0.768 89.5 67.9 -64.3 -29.3 33.9 -14.5 35.0 77 78 A S G 3 S+ 0 0 114 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.677 97.8 54.1 -64.9 -14.7 37.2 -14.9 36.8 78 79 A Q G < S+ 0 0 105 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.534 90.4 94.7 -92.7 -14.7 38.7 -12.7 34.1 79 80 A W < - 0 0 21 -3,-1.4 161,-0.0 -4,-0.4 -5,-0.0 -0.701 53.0-167.4 -82.9 133.7 36.2 -9.9 34.7 80 81 A H S S+ 0 0 165 -2,-0.4 -1,-0.1 2,-0.1 -3,-0.0 0.578 82.1 30.9 -84.3 -19.8 37.0 -7.0 37.0 81 82 A T S S- 0 0 15 -5,-0.1 160,-0.2 6,-0.0 14,-0.1 -0.934 105.1 -84.9-134.2 159.5 33.4 -5.8 37.0 82 83 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 14,-0.1 -0.539 38.9-136.2 -71.2 127.6 30.1 -7.8 36.7 83 84 A P T 3 S+ 0 0 12 0, 0.0 13,-2.5 0, 0.0 4,-0.1 0.762 100.3 41.7 -60.5 -27.3 29.6 -8.2 32.9 84 85 A F T 3 S+ 0 0 34 11,-0.2 11,-0.1 -70,-0.1 -68,-0.1 0.108 98.2 83.7-108.6 20.1 25.9 -7.3 33.1 85 86 A E S < S- 0 0 121 -3,-2.0 2,-0.2 -70,-0.0 9,-0.1 -0.968 83.2-128.0-117.9 114.8 26.1 -4.5 35.5 86 87 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.463 33.6-169.3 -63.1 127.2 27.0 -1.2 33.8 87 88 A T E -J 94 0D 31 7,-2.2 7,-3.3 -2,-0.2 2,-0.5 -0.979 13.2-151.6-131.1 121.3 30.0 -0.0 35.9 88 89 A V E +J 93 0D 70 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.834 22.3 165.8-100.0 117.5 31.5 3.4 35.6 89 90 A I E > -J 92 0D 73 3,-2.3 3,-2.1 -2,-0.5 -2,-0.1 -0.961 67.4 -27.1-136.1 116.1 35.2 3.8 36.4 90 91 A D T 3 S- 0 0 153 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.835 127.0 -41.7 46.5 52.4 37.3 6.9 35.5 91 92 A G T 3 S+ 0 0 40 1,-0.2 155,-2.5 154,-0.1 156,-0.5 0.451 116.2 107.8 83.7 -3.2 35.3 8.0 32.5 92 93 A F E < -JK 89 245D 60 -3,-2.1 -3,-2.3 153,-0.2 2,-0.7 -0.926 60.1-141.0-112.5 140.7 34.7 4.5 31.0 93 94 A L E -JK 88 244D 0 151,-3.0 151,-1.7 -2,-0.4 2,-0.4 -0.877 23.8-158.1 -97.3 114.0 31.5 2.5 31.0 94 95 A H E +JK 87 243D 32 -7,-3.3 -7,-2.2 -2,-0.7 149,-0.3 -0.789 36.0 88.1 -99.0 140.1 32.2 -1.2 31.6 95 96 A G S > S- 0 0 0 147,-2.6 3,-2.4 -2,-0.4 4,-0.3 -0.669 76.8 -63.7 153.3 156.6 30.0 -4.1 30.6 96 97 A R T 3 S+ 0 0 6 -13,-2.5 -23,-0.1 1,-0.3 141,-0.1 -0.343 122.3 18.1 -58.7 130.7 29.1 -6.5 27.9 97 98 A G T 3 >S+ 0 0 0 3,-0.1 5,-1.9 -2,-0.1 6,-1.0 0.345 86.3 120.3 85.8 -3.5 27.6 -4.6 24.9 98 99 A A T < >S+ 0 0 0 -3,-2.4 5,-0.6 4,-0.2 3,-0.2 0.909 94.9 16.3 -59.5 -44.4 29.1 -1.3 26.1 99 100 A A T 5S+ 0 0 0 -4,-0.3 2,-0.5 1,-0.2 5,-0.2 0.778 120.2 69.6 -95.2 -33.9 31.1 -1.1 22.8 100 101 A D T 5S- 0 0 5 1,-0.1 -29,-0.2 63,-0.1 -1,-0.2 -0.773 125.3 -63.2-126.5 86.5 29.1 -3.7 20.7 101 102 A M T >5S+ 0 0 0 -2,-0.5 4,-2.1 61,-0.2 5,-0.2 -0.816 111.6 91.5-147.8 35.7 26.6 -2.1 20.5 102 103 A K H > S+ 0 0 0 1,-0.2 4,-2.3 -5,-0.2 -2,-0.2 0.899 108.5 54.9 -55.3 -42.9 25.5 3.1 19.9 105 106 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 107.8 49.6 -61.1 -43.4 21.9 2.2 20.4 106 107 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.927 110.0 51.9 -59.1 -42.6 21.6 4.7 23.2 107 108 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.852 107.8 52.4 -59.7 -42.0 23.3 7.4 21.0 108 109 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.923 110.7 46.3 -61.5 -48.9 20.8 6.7 18.2 109 110 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.946 115.6 44.5 -63.2 -48.9 17.8 7.2 20.5 110 111 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.898 112.2 52.7 -65.1 -40.8 19.1 10.4 22.1 111 112 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.924 111.3 46.7 -59.3 -43.4 20.2 11.9 18.7 112 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.906 111.6 51.4 -66.4 -43.8 16.7 11.3 17.3 113 114 A E H X S+ 0 0 48 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 114.5 43.9 -53.8 -49.1 15.1 12.8 20.4 114 115 A R H X S+ 0 0 77 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.897 114.4 49.3 -66.8 -40.4 17.3 15.9 20.1 115 116 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.910 112.1 46.4 -64.2 -46.0 16.8 16.1 16.3 116 117 A I H < S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 108.3 57.5 -70.6 -28.8 13.0 15.8 16.5 117 118 A A H < S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.896 118.1 33.6 -64.4 -38.3 12.9 18.4 19.4 118 119 A E H < S+ 0 0 118 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.812 133.4 26.7 -86.1 -30.2 14.7 20.8 17.0 119 120 A H >< + 0 0 42 -4,-3.0 3,-1.4 -5,-0.2 -1,-0.2 -0.551 60.1 157.3-139.0 67.0 13.1 19.8 13.6 120 121 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.817 82.9 51.5 -61.2 -30.2 9.7 18.3 14.3 121 122 A D T 3 S+ 0 0 131 -3,-0.1 -5,-0.0 -5,-0.0 -2,-0.0 -0.194 86.3 160.4 -99.0 35.8 8.8 19.2 10.6 122 123 A H < - 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