==== 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 HYDROLASE 11-APR-08 3CT9 . COMPND 2 MOLECULE: ACETYLORNITHINE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 693 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 15.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 0.1 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 . 53 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 1 0 0 0 2 3 0 1 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 0 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 PARALLEL BRIDGES PER LADDER . 9 3 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 1 2 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 3 A Y 0 0 130 0, 0.0 2,-1.2 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 149.3 -24.5 -64.9 9.5 2 4 A D > + 0 0 92 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.756 360.0 177.1 -91.4 91.0 -22.2 -65.4 12.4 3 5 A I H > S+ 0 0 62 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.906 75.0 52.6 -65.8 -44.2 -18.8 -65.2 10.6 4 6 A P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 111.1 47.6 -58.2 -40.8 -16.6 -65.5 13.8 5 7 A T H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.936 112.9 48.2 -65.6 -46.8 -18.4 -68.7 14.9 6 8 A X H X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.888 111.1 52.6 -59.7 -39.8 -18.1 -70.2 11.4 7 9 A T H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 107.4 49.6 -64.9 -41.7 -14.4 -69.3 11.3 8 10 A A H X S+ 0 0 62 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.852 113.2 48.0 -65.4 -34.3 -13.7 -71.0 14.7 9 11 A E H X S+ 0 0 74 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 112.0 48.2 -74.8 -41.1 -15.4 -74.2 13.5 10 12 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.904 113.9 47.1 -61.6 -44.4 -13.6 -74.2 10.1 11 13 A V H X S+ 0 0 24 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.814 110.6 53.7 -66.9 -34.2 -10.2 -73.6 11.9 12 14 A S H X S+ 0 0 74 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.873 110.2 45.6 -68.4 -40.4 -11.1 -76.4 14.4 13 15 A L H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.904 107.9 58.1 -70.0 -40.2 -11.8 -78.9 11.6 14 16 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.833 104.5 51.8 -57.5 -37.7 -8.6 -77.9 9.7 15 17 A K H X S+ 0 0 37 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.942 109.7 48.8 -63.2 -49.6 -6.5 -78.8 12.8 16 18 A S H < S+ 0 0 40 -4,-1.4 -2,-0.2 1,-0.2 4,-0.2 0.779 113.8 47.1 -60.4 -34.3 -8.1 -82.3 13.0 17 19 A L H >< S+ 0 0 22 -4,-1.9 3,-1.5 2,-0.2 -1,-0.2 0.904 107.3 54.8 -77.4 -41.1 -7.5 -82.9 9.3 18 20 A I H 3< S+ 0 0 6 -4,-2.3 74,-0.2 1,-0.3 -2,-0.2 0.874 104.0 58.0 -56.7 -39.6 -3.8 -81.7 9.3 19 21 A S T 3< S+ 0 0 55 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.587 93.9 75.4 -67.0 -15.5 -3.1 -84.3 12.1 20 22 A I S < S- 0 0 33 -3,-1.5 2,-0.2 -4,-0.2 -1,-0.1 -0.898 86.8-128.3-104.6 112.1 -4.3 -87.2 9.9 21 23 A P + 0 0 69 0, 0.0 9,-0.3 0, 0.0 8,-0.2 -0.435 34.9 168.3 -60.6 125.2 -1.8 -88.2 7.2 22 24 A S + 0 0 11 -2,-0.2 52,-1.5 53,-0.1 5,-0.2 -0.395 3.6 172.4-139.0 60.4 -3.5 -88.2 3.8 23 25 A I B > -a 74 0A 33 3,-0.3 3,-2.5 50,-0.2 52,-0.2 -0.361 56.9 -69.2 -64.0 146.0 -0.9 -88.5 1.1 24 26 A S T 3 S+ 0 0 13 50,-1.7 -1,-0.2 1,-0.3 102,-0.0 -0.096 123.9 14.2 -41.9 132.8 -2.4 -89.0 -2.3 25 27 A R T 3 S+ 0 0 145 -3,-0.1 -1,-0.3 25,-0.0 3,-0.1 0.324 118.8 71.8 79.7 -4.7 -4.1 -92.5 -2.7 26 28 A E < + 0 0 137 -3,-2.5 -3,-0.3 1,-0.1 3,-0.3 -0.220 55.1 117.6-135.0 44.3 -3.9 -93.1 1.1 27 29 A E > + 0 0 0 -5,-0.2 4,-2.2 1,-0.2 5,-0.2 0.123 33.4 116.5 -99.2 16.6 -6.7 -90.7 2.4 28 30 A T H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 78.0 43.8 -55.5 -48.9 -9.0 -93.4 3.9 29 31 A Q H > S+ 0 0 148 -3,-0.3 4,-2.3 -8,-0.2 -1,-0.2 0.904 113.4 50.4 -67.9 -40.7 -8.7 -92.2 7.5 30 32 A A H > S+ 0 0 3 -9,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.879 112.8 47.7 -64.1 -35.8 -9.0 -88.5 6.7 31 33 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.806 108.6 54.5 -73.9 -32.6 -12.2 -89.3 4.6 32 34 A D H X S+ 0 0 70 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.961 111.3 45.2 -60.1 -55.3 -13.6 -91.4 7.4 33 35 A F H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.947 114.6 47.5 -52.9 -56.3 -13.2 -88.4 9.8 34 36 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.859 110.0 52.2 -57.3 -41.5 -14.7 -85.9 7.4 35 37 A Q H X S+ 0 0 47 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.920 111.1 47.9 -61.1 -44.0 -17.7 -88.1 6.5 36 38 A N H X S+ 0 0 106 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.890 108.7 54.2 -63.3 -41.9 -18.5 -88.5 10.2 37 39 A Y H X S+ 0 0 51 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.943 109.6 46.5 -57.4 -50.6 -18.2 -84.8 10.8 38 40 A I H <>S+ 0 0 1 -4,-2.1 5,-1.5 1,-0.2 -1,-0.2 0.814 111.6 51.6 -64.1 -35.3 -20.7 -83.9 8.1 39 41 A E H ><5S+ 0 0 83 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.864 105.2 55.7 -67.9 -39.2 -23.1 -86.6 9.3 40 42 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.727 98.9 61.8 -67.0 -22.9 -23.0 -85.2 12.9 41 43 A E T 3<5S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.411 126.6-104.1 -78.5 -1.4 -24.0 -81.8 11.4 42 44 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.759 80.2 129.7 83.6 27.9 -27.2 -83.6 10.4 43 45 A X < - 0 0 29 -5,-1.5 2,-0.4 14,-0.0 -1,-0.3 -0.957 57.9-127.4-116.1 130.7 -26.4 -84.0 6.6 44 46 A Q - 0 0 175 -2,-0.4 11,-0.5 11,-0.2 2,-0.2 -0.623 32.6-150.2 -76.5 124.7 -26.7 -87.3 4.7 45 47 A T E -B 54 0B 28 -2,-0.4 2,-0.3 9,-0.1 9,-0.2 -0.484 10.4-150.6 -94.4 162.2 -23.4 -88.0 2.9 46 48 A G E -B 53 0B 16 7,-3.0 7,-2.2 -2,-0.2 2,-0.3 -0.907 18.5-172.1-121.8 156.5 -22.5 -89.8 -0.2 47 49 A R E +B 52 0B 67 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.969 21.7 174.8-157.2 139.7 -19.2 -91.6 -0.8 48 50 A K E > S-B 51 0B 109 3,-1.9 3,-2.0 -2,-0.3 2,-0.4 -0.930 76.1 -41.1-142.0 116.9 -17.2 -93.4 -3.6 49 51 A G T 3 S- 0 0 54 -2,-0.3 86,-0.1 1,-0.3 85,-0.0 -0.543 125.2 -27.9 63.2-121.3 -13.6 -94.5 -2.7 50 52 A N T 3 S+ 0 0 22 84,-0.5 2,-0.5 -2,-0.4 -1,-0.3 -0.054 112.6 111.9-111.3 25.9 -12.2 -91.6 -0.6 51 53 A N E < -B 48 0B 0 -3,-2.0 -3,-1.9 74,-0.1 2,-0.4 -0.905 49.5-167.6 -97.9 126.4 -14.4 -89.0 -2.3 52 54 A V E +BC 47 124B 0 72,-2.9 72,-3.5 -2,-0.5 2,-0.3 -0.971 13.4 163.1-118.9 126.0 -17.1 -87.5 0.1 53 55 A W E -BC 46 123B 48 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.3 -0.858 17.1-165.9-133.7 167.7 -20.0 -85.5 -1.1 54 56 A C E -BC 45 122B 1 68,-2.0 68,-2.8 -2,-0.3 2,-0.3 -0.953 14.6-134.7-155.6 149.0 -23.4 -84.2 0.1 55 57 A L E - C 0 121B 65 -11,-0.5 66,-0.2 -2,-0.3 -11,-0.2 -0.775 26.1-107.7-104.1 142.1 -26.5 -82.6 -1.6 56 58 A S - 0 0 14 64,-3.1 3,-0.3 -2,-0.3 -1,-0.1 -0.235 48.0 -93.3 -61.5 151.2 -28.6 -79.6 -0.5 57 59 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 63,-0.1 -0.343 105.4 20.8 -68.3 152.6 -32.0 -80.3 0.9 58 60 A X S S- 0 0 178 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.957 83.5-169.7 51.3 62.2 -35.0 -80.3 -1.5 59 61 A F - 0 0 50 -3,-0.3 2,-0.4 -4,-0.1 -1,-0.2 -0.635 4.3-172.8 -81.2 124.2 -32.9 -80.8 -4.6 60 62 A D > - 0 0 48 -2,-0.4 3,-1.8 4,-0.1 59,-0.1 -0.982 32.1-144.4-132.9 140.7 -34.7 -80.3 -7.9 61 63 A L T 3 S+ 0 0 132 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.382 96.5 72.4 -67.8 -0.1 -33.7 -80.8 -11.4 62 64 A K T 3 S+ 0 0 184 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.415 95.8 60.7 -95.4 -0.1 -35.8 -77.7 -12.5 63 65 A K S < S- 0 0 72 -3,-1.8 55,-0.2 55,-0.0 2,-0.1 -0.908 92.7-104.5-124.3 152.2 -33.2 -75.4 -10.9 64 66 A P - 0 0 44 0, 0.0 55,-2.6 0, 0.0 2,-0.4 -0.415 32.4-137.3 -76.2 154.2 -29.4 -75.0 -11.7 65 67 A T E -d 119 0B 5 53,-0.2 82,-2.7 -2,-0.1 83,-1.2 -0.916 7.6-155.9-120.6 135.6 -26.8 -76.6 -9.4 66 68 A I E -de 120 148B 0 53,-2.0 55,-1.7 -2,-0.4 2,-0.5 -0.936 13.6-146.4-107.2 131.4 -23.5 -75.1 -8.2 67 69 A L E -de 121 149B 0 81,-1.9 83,-2.8 -2,-0.5 2,-0.6 -0.888 5.3-160.1 -98.0 126.8 -20.7 -77.5 -7.2 68 70 A L E +de 122 150B 0 53,-2.8 55,-2.7 -2,-0.5 2,-0.4 -0.948 26.1 174.4-102.4 123.3 -18.4 -76.5 -4.4 69 71 A N E +de 123 151B 0 81,-2.5 83,-3.0 -2,-0.6 2,-0.3 -0.977 19.1 146.3-139.2 140.3 -15.2 -78.6 -4.5 70 72 A S E -d 124 0B 2 53,-1.6 55,-2.1 -2,-0.4 2,-0.3 -0.927 39.3-102.8-152.3 178.0 -11.7 -79.0 -3.0 71 73 A H E -d 125 0B 2 81,-0.4 55,-0.2 -2,-0.3 30,-0.2 -0.858 8.5-160.7-116.2 144.1 -9.3 -82.0 -2.3 72 74 A I + 0 0 16 53,-2.5 54,-0.2 -2,-0.3 2,-0.1 0.508 66.7 93.6 -96.2 -7.8 -8.4 -83.9 0.9 73 75 A D - 0 0 2 52,-0.4 2,-0.3 24,-0.0 -50,-0.2 -0.430 55.2-165.4 -83.9 166.7 -5.1 -85.4 -0.3 74 76 A T B -a 23 0A 8 -52,-1.5 -50,-1.7 -2,-0.1 2,-0.1 -0.893 24.0-101.1-143.3 161.0 -1.8 -83.8 0.2 75 77 A V - 0 0 39 -2,-0.3 -53,-0.1 -52,-0.2 3,-0.1 -0.410 53.8 -81.9 -80.6 167.1 1.7 -84.2 -1.2 76 78 A K - 0 0 109 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.293 62.9 -81.5 -63.1 152.5 4.4 -86.1 0.7 77 79 A P 0 0 84 0, 0.0 -1,-0.1 0, 0.0 245,-0.1 -0.412 360.0 360.0 -63.3 133.2 6.2 -84.2 3.4 78 80 A V 0 0 130 243,-0.1 243,-0.1 -2,-0.1 244,-0.0 0.790 360.0 360.0 -77.0 360.0 9.0 -82.0 2.0 79 ! 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 80 88 A F 0 0 102 0, 0.0 11,-0.1 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 68.2 1.6 -83.4 10.4 81 89 A T - 0 0 118 -61,-0.0 2,-0.2 2,-0.0 9,-0.1 -0.919 360.0-123.5-138.8 110.4 0.9 -82.0 13.9 82 90 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.377 29.1-175.5 -68.7 125.2 -0.7 -78.4 13.7 83 91 A R E -J 90 0C 140 7,-0.9 7,-3.1 -2,-0.2 2,-0.4 -0.881 11.3-150.6-113.9 148.3 1.1 -75.6 15.5 84 92 A E E +J 89 0C 121 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.971 27.3 149.7-122.7 132.9 -0.2 -72.0 15.7 85 93 A E + 0 0 55 3,-2.5 -2,-0.0 -2,-0.4 0, 0.0 -0.807 62.1 9.6-166.4 121.7 2.1 -68.9 16.0 86 94 A N S S- 0 0 149 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.874 128.5 -57.2 77.9 40.9 1.9 -65.2 14.9 87 95 A G S S+ 0 0 48 1,-0.2 241,-1.0 240,-0.1 242,-0.5 0.881 117.8 110.1 56.6 46.6 -1.8 -65.5 13.9 88 96 A K E - K 0 327C 56 239,-0.2 -3,-2.5 240,-0.1 2,-0.6 -0.983 61.2-139.7-159.6 130.3 -0.9 -68.3 11.5 89 97 A L E -JK 84 326C 2 237,-2.6 237,-1.0 -2,-0.3 2,-0.3 -0.852 19.0-156.4-105.1 116.6 -1.6 -72.1 11.5 90 98 A Y E +JK 83 325C 12 -7,-3.1 -7,-0.9 -2,-0.6 235,-0.2 -0.636 34.0 98.2 -96.4 148.4 1.1 -74.5 10.3 91 99 A G S > S- 0 0 15 233,-2.2 3,-1.7 -2,-0.3 2,-0.4 -0.669 71.4 -67.0 154.0 157.1 0.9 -78.1 8.9 92 100 A L T 3 S+ 0 0 34 1,-0.3 227,-0.0 -2,-0.2 230,-0.0 -0.514 120.1 15.9 -67.2 120.9 0.9 -80.2 5.7 93 101 A G T 3 >S+ 0 0 10 -2,-0.4 5,-2.7 3,-0.1 -1,-0.3 0.497 88.9 118.1 91.7 7.6 -2.2 -79.4 3.7 94 102 A S T < >S+ 0 0 0 -3,-1.7 5,-0.9 4,-0.2 3,-0.2 0.899 90.2 20.5 -68.2 -43.5 -3.1 -76.2 5.5 95 103 A N T 5S+ 0 0 0 -4,-0.3 2,-0.5 1,-0.2 5,-0.3 0.885 119.4 66.2 -89.6 -50.2 -2.8 -73.9 2.4 96 104 A D T 5S- 0 0 11 1,-0.2 -1,-0.2 222,-0.1 224,-0.2 -0.818 129.9 -44.4-117.8 91.5 -3.2 -76.6 -0.3 97 105 A A T >>5S+ 0 0 1 -2,-0.5 4,-2.1 -3,-0.2 3,-0.9 -0.832 114.6 86.3-140.4 31.2 -6.0 -77.3 0.3 98 106 A G H 3> S+ 0 0 0 -3,-0.9 4,-3.0 -5,-0.3 5,-0.3 0.844 112.4 57.0 -75.3 -39.7 -10.6 -74.2 1.1 101 109 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.948 113.5 38.6 -55.2 -51.0 -12.0 -77.5 2.3 102 110 A V H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.839 117.4 49.2 -71.7 -37.8 -13.1 -76.1 5.6 103 111 A S H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.914 111.4 48.2 -66.2 -48.2 -14.2 -72.7 4.3 104 112 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.895 109.9 53.9 -63.8 -37.3 -16.4 -74.2 1.5 105 113 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.923 109.2 46.3 -61.6 -49.0 -18.0 -76.6 4.0 106 114 A Q H X S+ 0 0 9 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.933 113.0 50.4 -58.7 -46.8 -19.1 -73.9 6.4 107 115 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.913 110.9 50.9 -54.3 -43.3 -20.4 -71.8 3.5 108 116 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.918 108.3 50.0 -61.5 -48.8 -22.3 -75.0 2.3 109 117 A L H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.730 113.8 46.3 -64.6 -26.0 -24.0 -75.6 5.7 110 118 A Q H >< S+ 0 0 16 -4,-1.4 3,-1.5 -3,-0.2 -2,-0.2 0.902 110.4 49.4 -83.2 -47.4 -25.1 -72.0 6.0 111 119 A L H >< S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.787 101.3 67.5 -62.2 -26.1 -26.6 -71.6 2.4 112 120 A C T 3< S+ 0 0 23 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.575 97.8 52.3 -70.0 -12.6 -28.5 -74.9 3.0 113 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