==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-09 3KVN . COMPND 2 MOLECULE: ESTERASE ESTA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.VAN DEN BERG . 1255 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 415 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 . 77 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.1 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 2 3 3 0 2 2 2 0 0 0 0 0 2 0 0 0 2 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 2 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 PARALLEL BRIDGES PER LADDER . 10 2 2 1 3 0 0 0 0 0 10 2 3 1 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 2 0 0 0 0 0 0 0 2 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 -5 X H 0 0 132 0, 0.0 2,-0.4 0, 0.0 368,-0.1 0.000 360.0 360.0 360.0 35.2 50.1 33.5 46.1 2 -4 X H - 0 0 14 366,-0.1 2,-0.3 1,-0.1 368,-0.0 -0.637 360.0-124.5 -95.0 129.9 51.7 30.5 47.8 3 -3 X H > - 0 0 102 -2,-0.4 3,-1.6 1,-0.1 -1,-0.1 -0.516 19.8-142.1 -69.1 125.2 55.5 29.8 48.2 4 -2 X H T 3 S+ 0 0 71 -2,-0.3 364,-0.5 1,-0.3 -1,-0.1 0.609 95.3 61.5 -73.3 -15.3 56.2 26.3 46.7 5 -1 X L T 3 S+ 0 0 155 362,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.702 96.9 79.5 -76.9 -19.3 58.8 25.3 49.3 6 0 X E S < S- 0 0 103 -3,-1.6 362,-0.1 362,-0.1 3,-0.1 -0.547 81.4-116.5 -97.1 152.5 56.1 25.6 52.0 7 1 X A - 0 0 52 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.1 -0.282 56.5 -69.8 -70.8 167.7 53.3 23.3 53.2 8 2 X P - 0 0 10 0, 0.0 362,-0.2 0, 0.0 363,-0.2 -0.107 43.7-173.5 -63.0 162.5 49.8 24.6 52.9 9 3 X S + 0 0 29 361,-1.6 362,-0.2 360,-0.2 361,-0.1 -0.516 12.3 167.1-160.2 78.0 48.5 27.5 55.0 10 4 X P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 361,-0.1 0.711 56.1 78.5 -66.2 -25.1 44.8 28.1 54.6 11 5 X Y - 0 0 15 57,-0.3 133,-0.2 359,-0.1 3,-0.1 -0.715 64.4-148.6-109.5 139.2 44.4 30.4 57.6 12 6 X S S S- 0 0 57 131,-2.0 59,-0.3 -2,-0.3 2,-0.3 0.858 83.3 -28.6 -64.9 -36.9 45.2 34.0 58.2 13 7 X T - 0 0 11 130,-0.3 132,-2.8 57,-0.1 2,-0.5 -0.961 61.8-105.0-165.9 174.7 45.9 33.3 61.8 14 8 X L E -a 145 0A 1 -2,-0.3 2,-0.5 130,-0.2 132,-0.2 -0.975 28.2-169.1-116.9 117.1 45.0 31.0 64.7 15 9 X V E -a 146 0A 1 130,-2.7 132,-1.7 -2,-0.5 2,-0.4 -0.937 12.5-165.4-109.4 129.1 42.7 32.5 67.4 16 10 X V E +ab 147 93A 3 76,-2.2 78,-2.7 -2,-0.5 2,-0.3 -0.910 13.6 179.4-122.2 138.4 42.4 30.4 70.5 17 11 X F E +a 148 0A 0 130,-2.9 132,-1.5 -2,-0.4 2,-0.3 -0.963 37.3 62.1-131.9 155.2 40.1 30.4 73.5 18 12 X G - 0 0 0 -2,-0.3 78,-2.7 76,-0.3 81,-0.2 -0.983 68.4 -53.1 140.1-145.2 39.9 28.1 76.5 19 13 X D S >> S- 0 0 4 -2,-0.3 3,-2.1 76,-0.3 4,-2.0 -0.126 76.3 -46.0-123.6-156.8 41.8 27.0 79.6 20 14 X S T 34 S+ 0 0 11 76,-0.4 20,-0.5 1,-0.3 77,-0.2 0.710 122.8 69.4 -59.9 -22.4 45.1 25.6 80.8 21 15 X L T 34 S+ 0 0 24 1,-0.2 39,-0.4 75,-0.1 -1,-0.3 0.846 117.9 20.6 -60.6 -28.8 45.0 23.0 78.0 22 16 X S T <4 S+ 0 0 0 -3,-2.1 -2,-0.2 37,-0.1 73,-0.2 0.629 86.0 129.3-119.3 -18.7 45.6 25.9 75.5 23 17 X D < - 0 0 0 -4,-2.0 17,-0.3 1,-0.2 73,-0.1 -0.096 36.3-166.7 -45.3 131.3 47.1 28.8 77.5 24 18 X A - 0 0 5 71,-0.4 53,-0.2 69,-0.2 -1,-0.2 0.501 69.8 -50.2-103.4 -8.3 50.3 30.0 75.7 25 19 X G S S+ 0 0 1 70,-0.3 52,-0.2 51,-0.1 14,-0.2 0.576 73.5 148.8 139.7 57.9 51.5 32.1 78.6 26 20 X Q + 0 0 0 12,-0.4 56,-0.5 69,-0.2 57,-0.2 0.966 67.0 58.3 -69.9 -53.5 49.1 34.5 80.2 27 21 X F S S- 0 0 29 11,-0.3 11,-3.2 53,-0.1 53,-0.1 -0.416 92.3-102.5 -81.6 150.9 50.6 34.3 83.8 28 22 X P B -F 37 0B 32 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.254 29.5-123.9 -56.6 154.5 54.2 35.0 84.9 29 23 X D > - 0 0 11 7,-1.0 3,-2.3 4,-0.2 7,-0.2 -0.850 25.7-170.8-104.1 92.1 56.4 32.0 85.5 30 24 X P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.858 85.3 42.9 -54.3 -38.3 57.4 32.7 89.0 31 25 X A T 3 S+ 0 0 38 -3,-0.1 20,-2.3 23,-0.0 22,-0.5 0.198 105.1 82.7 -94.1 15.1 60.0 29.9 88.9 32 26 X G S < S- 0 0 20 -3,-2.3 3,-0.1 1,-0.2 4,-0.1 -0.648 89.0 -71.2-113.6 174.0 61.4 30.7 85.5 33 27 X P S > S- 0 0 46 0, 0.0 3,-2.0 0, 0.0 -4,-0.2 -0.004 72.0 -71.1 -52.5 165.5 63.9 33.1 83.8 34 28 X A T 3 S+ 0 0 105 1,-0.3 3,-0.1 19,-0.0 0, 0.0 -0.374 125.4 22.0 -64.9 137.9 63.1 36.8 83.6 35 29 X G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.1 51,-0.1 0.385 93.4 145.7 83.0 -4.8 60.4 37.5 81.1 36 30 X S < - 0 0 13 -3,-2.0 -7,-1.0 -7,-0.2 2,-0.3 -0.197 33.3-156.5 -61.7 158.5 59.2 33.8 81.4 37 31 X T B -F 28 0B 17 -9,-0.3 19,-0.5 19,-0.1 2,-0.5 -0.920 18.9-104.9-140.0 154.8 55.6 33.0 81.1 38 32 X S + 0 0 15 -11,-3.2 -12,-0.4 -2,-0.3 -11,-0.3 -0.747 33.4 170.5 -95.7 130.3 53.6 30.0 82.4 39 33 X R - 0 0 21 -2,-0.5 2,-1.5 2,-0.2 18,-0.1 -0.961 38.6-118.8-125.8 148.8 52.2 27.1 80.3 40 34 X F S S+ 0 0 64 -20,-0.5 2,-0.3 -2,-0.3 251,-0.1 -0.584 82.4 69.8 -94.2 78.5 50.7 24.0 81.9 41 35 X T S S- 0 0 1 -2,-1.5 -2,-0.2 250,-0.1 256,-0.2 -0.909 92.4 -52.4-169.0 179.4 53.1 21.3 80.6 42 36 X N - 0 0 9 -2,-0.3 15,-2.7 254,-0.2 2,-0.1 -0.190 55.7-106.8 -68.0 158.4 56.7 20.2 81.3 43 37 X R B -G 56 0C 5 5,-0.4 13,-0.3 13,-0.3 255,-0.1 -0.393 35.0-105.9 -77.4 165.5 59.7 22.5 81.1 44 38 X V - 0 0 81 11,-2.5 12,-0.1 1,-0.2 -1,-0.1 0.741 67.6-172.2 -71.9 -22.9 62.0 22.2 78.1 45 39 X G S S+ 0 0 10 10,-0.3 -1,-0.2 4,-0.1 10,-0.1 -0.474 75.0 166.4 100.8-178.8 64.9 20.6 79.9 46 40 X P S S+ 0 0 119 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 -0.976 120.5 10.5 -72.2 -23.9 67.6 19.4 80.5 47 41 X T S S- 0 0 66 2,-0.1 3,-0.1 5,-0.1 -4,-0.0 0.796 78.5-155.2 -87.5 -28.7 66.8 19.4 84.2 48 42 X Y + 0 0 43 1,-0.2 -5,-0.4 7,-0.1 2,-0.1 0.392 46.7 140.2 67.3 -2.3 63.0 20.2 83.9 49 43 X Q > - 0 0 74 1,-0.1 3,-1.4 229,-0.1 5,-0.5 -0.393 61.0-109.6 -73.1 144.9 63.3 21.6 87.5 50 44 X N T 3 S+ 0 0 93 1,-0.2 -18,-0.1 2,-0.1 -1,-0.1 -0.499 108.2 24.1 -61.6 141.4 61.5 24.7 88.6 51 45 X G T 3 S+ 0 0 61 -20,-2.3 -1,-0.2 3,-0.2 -19,-0.1 0.518 88.5 115.4 75.7 6.9 64.0 27.5 89.2 52 46 X S S < S- 0 0 45 -3,-1.4 -2,-0.1 2,-0.2 -20,-0.1 0.534 90.9-110.8 -79.1 -9.0 66.5 25.8 86.8 53 47 X G S S+ 0 0 46 -22,-0.5 2,-0.4 1,-0.3 -21,-0.1 0.427 79.2 129.3 85.7 0.9 66.2 28.7 84.4 54 48 X E - 0 0 20 -5,-0.5 -1,-0.3 -23,-0.2 -2,-0.2 -0.746 53.2-132.8 -92.5 134.5 64.4 26.5 81.9 55 49 X I - 0 0 77 -2,-0.4 -11,-2.5 -10,-0.1 -10,-0.3 -0.313 29.1 -92.0 -78.7 164.8 61.1 27.8 80.4 56 50 X F B -G 43 0C 32 -19,-0.5 -13,-0.3 -13,-0.3 -14,-0.1 -0.465 48.1-115.2 -67.7 147.8 57.9 25.9 80.1 57 51 X G - 0 0 4 -15,-2.7 -1,-0.1 1,-0.2 2,-0.1 -0.046 41.2 -73.1 -75.3-174.4 57.5 24.0 76.8 58 52 X P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.396 38.1-133.0 -83.4 158.6 54.9 24.7 74.1 59 53 X T >> - 0 0 2 -37,-0.1 4,-1.7 -2,-0.1 3,-1.2 -0.711 34.8 -95.4-105.8 161.3 51.2 23.9 74.2 60 54 X A H 3> S+ 0 0 1 -39,-0.4 4,-3.0 1,-0.3 5,-0.2 0.820 120.2 53.4 -45.1 -48.0 49.3 22.2 71.3 61 55 X P H 3> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.852 109.0 51.0 -61.1 -34.6 47.9 25.4 69.7 62 56 X M H <> S+ 0 0 43 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.898 112.2 45.6 -66.9 -42.4 51.4 26.8 69.5 63 57 X L H X S+ 0 0 35 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.914 115.8 47.5 -66.0 -42.9 52.7 23.7 67.8 64 58 X L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.920 109.6 51.1 -63.7 -47.8 49.7 23.6 65.5 65 59 X G H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -1,-0.2 0.913 109.7 52.0 -59.5 -42.8 49.9 27.3 64.5 66 60 X N H ><5S+ 0 0 109 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.921 108.3 49.7 -56.4 -47.6 53.6 26.7 63.7 67 61 X Q H 3<5S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 109.9 53.1 -58.4 -37.4 52.7 23.7 61.5 68 62 X L T 3<5S- 0 0 1 -4,-2.2 -57,-0.3 -5,-0.1 -1,-0.3 0.287 118.0-111.2 -85.1 6.6 50.1 25.9 59.7 69 63 X G T < 5 + 0 0 58 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.651 58.3 164.8 71.8 17.1 52.6 28.7 59.0 70 64 X I < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -57,-0.1 -0.395 50.6 -96.0 -63.4 138.3 51.0 31.1 61.4 71 65 X A >> - 0 0 52 -59,-0.3 3,-2.1 1,-0.1 4,-0.6 -0.404 33.3-130.0 -54.4 127.3 53.1 34.2 62.3 72 66 X P G >4 S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.820 105.0 62.3 -54.1 -38.4 54.8 33.3 65.6 73 67 X G G >4 S+ 0 0 49 1,-0.3 3,-0.8 2,-0.2 19,-0.1 0.761 97.7 59.0 -60.3 -25.4 53.8 36.5 67.2 74 68 X D G <4 S+ 0 0 48 -3,-2.1 18,-3.0 1,-0.2 -1,-0.3 0.730 95.0 64.3 -73.6 -22.5 50.1 35.5 66.8 75 69 X L G << S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.501 84.0 98.8 -83.0 -5.2 50.8 32.3 68.8 76 70 X A S < S- 0 0 27 -3,-0.8 17,-2.1 -4,-0.3 -51,-0.1 -0.346 86.2 -82.4 -78.7 163.1 51.5 34.3 72.0 77 71 X A B -c 93 0A 2 -53,-0.2 14,-3.5 15,-0.2 17,-0.2 -0.129 30.6-134.4 -59.1 159.5 49.0 35.0 74.8 78 72 X S S S+ 0 0 0 15,-1.9 16,-0.1 12,-0.2 12,-0.1 0.712 93.4 22.2 -88.7 -22.8 46.5 37.8 74.5 79 73 X T S S+ 0 0 0 14,-0.3 -1,-0.1 45,-0.1 37,-0.1 0.041 74.0 149.9-142.7 27.6 46.8 39.4 78.0 80 74 X S > - 0 0 0 1,-0.2 4,-1.3 -53,-0.1 -53,-0.1 -0.494 36.0-154.1 -70.2 134.2 50.1 38.6 79.6 81 75 X P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.767 97.4 61.1 -69.1 -32.0 51.4 41.3 82.0 82 76 X V H > S+ 0 0 8 -56,-0.5 4,-2.2 2,-0.2 6,-0.2 0.936 103.2 48.0 -62.5 -47.3 54.9 39.9 81.3 83 77 X N H >>S+ 0 0 15 1,-0.2 5,-2.5 2,-0.2 4,-1.2 0.897 111.9 50.8 -59.5 -43.6 54.6 40.7 77.5 84 78 X A H ><5S+ 0 0 57 -4,-1.3 3,-0.6 2,-0.2 -2,-0.2 0.943 112.0 45.5 -59.1 -49.9 53.4 44.2 78.4 85 79 X Q H 3<5S+ 0 0 155 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 117.3 46.2 -62.7 -33.5 56.3 44.8 80.8 86 80 X Q H 3<5S- 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.605 110.7-119.7 -83.2 -14.6 58.7 43.4 78.2 87 81 X G T <<5 + 0 0 69 -4,-1.2 2,-0.4 -3,-0.6 -3,-0.2 0.716 63.4 146.7 74.3 21.8 57.2 45.4 75.3 88 82 X I < - 0 0 89 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.779 52.9-111.4 -88.2 133.8 56.3 42.1 73.5 89 83 X A - 0 0 78 -2,-0.4 -13,-0.1 1,-0.1 2,-0.1 -0.337 31.9-103.9 -67.8 145.5 53.1 42.4 71.4 90 84 X D - 0 0 57 -12,-0.1 -12,-0.2 1,-0.1 -1,-0.1 -0.389 38.5-149.3 -64.6 143.9 50.0 40.6 72.5 91 85 X G - 0 0 2 -14,-3.5 -17,-0.2 2,-0.2 -16,-0.2 -0.229 26.2 -96.0-103.0-163.7 49.1 37.5 70.4 92 86 X N S S+ 0 0 42 -18,-3.0 -76,-2.2 -78,-0.2 2,-0.8 0.196 85.7 105.2-105.4 14.8 45.9 35.7 69.5 93 87 X N B +bc 16 77A 4 -17,-2.1 -15,-1.9 -78,-0.2 -14,-0.3 -0.853 36.1 170.2-100.2 103.4 45.8 33.1 72.2 94 88 X W + 0 0 4 -78,-2.7 -76,-0.3 -2,-0.8 -77,-0.2 0.303 34.3 125.5 -94.9 5.1 43.1 34.1 74.7 95 89 X A - 0 0 0 -78,-0.2 -71,-0.4 -73,-0.2 2,-0.4 -0.407 42.4-164.0 -66.8 140.6 43.1 30.9 76.6 96 90 X V > - 0 0 1 -78,-2.7 3,-2.1 -73,-0.1 -76,-0.4 -0.983 23.8-114.8-132.8 123.9 43.8 31.2 80.3 97 91 X G T 3 S+ 0 0 9 -2,-0.4 -78,-0.1 -78,-0.4 -59,-0.0 -0.315 103.8 24.8 -48.5 128.0 44.8 28.6 82.9 98 92 X G T 3 S+ 0 0 29 1,-0.3 -1,-0.2 0, 0.0 -79,-0.1 0.092 85.0 142.1 102.7 -22.4 41.9 28.2 85.3 99 93 X Y < - 0 0 11 -3,-2.1 54,-0.5 -81,-0.2 52,-0.4 -0.262 36.1-153.0 -61.3 132.6 39.0 29.4 83.1 100 94 X R > - 0 0 36 53,-0.2 4,-2.2 50,-0.1 3,-0.4 -0.477 40.7 -89.8 -87.6 172.0 35.6 27.6 83.4 101 95 X T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.859 128.2 52.7 -49.0 -42.7 33.2 27.6 80.4 102 96 X D H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 109.7 47.6 -68.6 -34.8 31.6 30.8 81.6 103 97 X Q H > S+ 0 0 47 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.855 109.0 54.1 -73.1 -35.2 34.9 32.6 81.8 104 98 X I H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.951 109.3 49.1 -61.3 -47.5 35.9 31.4 78.3 105 99 X Y H >X S+ 0 0 86 -4,-2.3 4,-2.3 1,-0.2 3,-1.2 0.914 110.1 50.7 -55.2 -47.3 32.6 32.8 77.0 106 100 X D H 3X S+ 0 0 62 -4,-2.0 4,-2.1 1,-0.3 7,-0.3 0.860 102.1 60.7 -61.6 -36.8 33.3 36.2 78.7 107 101 X S H 3< S+ 0 0 0 -4,-2.1 22,-2.4 1,-0.2 -1,-0.3 0.649 113.9 38.0 -67.5 -15.2 36.8 36.3 77.2 108 102 X I H << S+ 0 0 0 -3,-1.2 22,-2.2 -4,-0.6 23,-0.6 0.822 133.2 17.1 -95.2 -44.0 35.1 36.3 73.8 109 103 X T H < S+ 0 0 39 -4,-2.3 -3,-0.2 21,-0.2 2,-0.2 0.727 101.6 85.9-109.0 -27.5 32.0 38.4 74.3 110 104 X A S >< S- 0 0 30 -4,-2.1 18,-2.9 -5,-0.3 3,-1.6 -0.492 74.5-106.1 -96.0 151.1 32.2 40.5 77.4 111 105 X A T 3 S+ 0 0 68 1,-0.3 16,-0.1 16,-0.2 -1,-0.1 -0.435 111.4 2.6 -59.1 136.7 33.6 43.9 78.4 112 106 X N T 3 S+ 0 0 101 1,-0.1 -1,-0.3 -2,-0.1 15,-0.3 0.801 93.8 144.4 48.3 32.8 36.8 43.4 80.5 113 107 X G < + 0 0 9 -3,-1.6 2,-1.2 -7,-0.3 14,-0.2 0.662 45.9 76.1 -79.2 -18.6 36.3 39.7 79.8 114 108 X S E +H 126 0D 0 12,-2.8 12,-1.4 -4,-0.2 2,-0.5 -0.741 67.4 172.7 -95.2 89.5 39.9 38.8 79.5 115 109 X L E -H 125 0D 55 -2,-1.2 2,-0.7 10,-0.2 10,-0.2 -0.858 22.3-166.7-102.2 128.2 41.0 38.8 83.1 116 110 X I E +H 124 0D 0 8,-3.8 7,-3.7 -2,-0.5 8,-1.6 -0.909 27.2 159.4-110.2 102.7 44.4 37.6 84.3 117 111 X E E -H 122 0D 86 -2,-0.7 2,-0.4 5,-0.3 5,-0.2 -0.989 23.4-171.5-133.4 136.4 44.2 37.2 88.1 118 112 X R E > S-H 121 0D 103 3,-1.8 3,-0.7 -2,-0.4 -2,-0.0 -0.991 76.7 -7.7-125.1 122.1 46.2 35.2 90.6 119 113 X D T 3 S- 0 0 139 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.957 128.8 -51.7 55.2 58.4 45.1 34.9 94.2 120 114 X N T 3 S+ 0 0 166 -3,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.693 115.5 112.6 55.4 21.0 42.2 37.4 94.1 121 115 X T E < -H 118 0D 72 -3,-0.7 -3,-1.8 0, 0.0 2,-0.5 -0.994 67.8-128.0-124.5 131.5 44.4 40.1 92.5 122 116 X L E +H 117 0D 93 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.634 25.0 177.3 -76.8 121.7 44.0 41.3 89.0 123 117 X L E - 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