==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-11 3U7V . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; . AUTHOR M.E.CUFF,C.TESAR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 517 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 15.5 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 1 0 3 1 1 0 2 1 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 0 1 1 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 . 5 1 2 0 4 2 1 1 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 1 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 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 33 A D 0 0 157 0, 0.0 158,-0.2 0, 0.0 159,-0.2 0.000 360.0 360.0 360.0 151.4 -9.0 47.7 -12.0 2 34 A A - 0 0 23 157,-2.2 159,-0.1 156,-0.4 158,-0.0 -0.307 360.0 -90.9 -54.4 143.8 -10.4 45.8 -9.1 3 35 A A - 0 0 56 1,-0.1 16,-0.6 157,-0.1 -1,-0.1 -0.282 48.6-101.0 -53.3 141.1 -12.0 48.1 -6.5 4 36 A X - 0 0 68 14,-0.1 16,-0.1 -3,-0.1 -1,-0.1 -0.490 39.6-111.2 -69.3 127.1 -9.5 49.1 -3.8 5 37 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.295 41.0-169.8 -52.0 143.5 -9.9 47.1 -0.6 6 38 A Q E -A 17 0A 130 11,-1.6 11,-3.2 236,-0.1 2,-0.6 -0.985 25.3-138.0-144.3 129.3 -11.3 49.3 2.3 7 39 A L E -A 16 0A 23 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.825 38.4-175.9 -79.5 121.6 -11.8 48.8 6.0 8 40 A V E -A 15 0A 26 7,-3.0 7,-1.8 -2,-0.6 2,-0.4 -0.810 20.1-152.4-125.2 158.1 -15.2 50.3 6.8 9 41 A T E +A 14 0A 82 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.998 11.6 177.2-133.2 132.9 -17.3 51.0 9.8 10 42 A K E > S-A 13 0A 121 3,-2.8 3,-1.5 -2,-0.4 -2,-0.0 -0.950 75.6 -24.0-137.9 115.7 -21.1 51.1 10.1 11 43 A D T 3 S- 0 0 130 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.878 127.5 -48.5 50.5 46.3 -22.8 51.7 13.4 12 44 A G T 3 S+ 0 0 33 1,-0.3 2,-0.3 295,-0.2 -1,-0.3 0.594 117.7 112.1 73.0 12.4 -19.8 50.2 15.3 13 45 A R E < -A 10 0A 69 -3,-1.5 -3,-2.8 371,-0.1 2,-0.3 -0.875 53.5-144.2-117.0 153.3 -19.6 47.2 13.1 14 46 A H E +A 9 0A 7 -2,-0.3 2,-0.3 319,-0.3 -5,-0.2 -0.865 19.2 172.6-126.4 153.9 -16.7 46.4 10.7 15 47 A A E -A 8 0A 3 -7,-1.8 -7,-3.0 -2,-0.3 2,-0.7 -0.988 28.3-136.5-150.6 145.6 -15.9 45.0 7.3 16 48 A L E -AB 7 23A 0 7,-0.5 7,-1.8 -2,-0.3 2,-0.5 -0.946 29.7-146.1 -96.6 112.7 -13.0 44.6 5.0 17 49 A X E +AB 6 22A 47 -11,-3.2 -11,-1.6 -2,-0.7 2,-0.4 -0.683 23.6 174.1 -80.0 120.9 -14.4 45.4 1.6 18 50 A V E > S- B 0 21A 0 3,-2.9 3,-1.6 -2,-0.5 -14,-0.1 -0.998 74.5 -4.6-130.0 125.6 -12.7 43.3 -1.1 19 51 A D T 3 S- 0 0 78 -16,-0.6 -1,-0.1 -2,-0.4 -15,-0.1 0.877 134.5 -56.8 55.4 35.0 -14.0 43.5 -4.7 20 52 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -16,-0.1 -3,-0.1 0.557 121.7 81.8 76.6 7.5 -16.8 45.7 -3.3 21 53 A A E < S-B 18 0A 38 -3,-1.6 -3,-2.9 -5,-0.1 -1,-0.2 -0.984 89.3 -80.4-137.5 160.2 -18.2 43.3 -0.6 22 54 A P E -B 17 0A 11 0, 0.0 2,-0.4 0, 0.0 359,-0.3 -0.257 45.8-163.0 -57.0 144.3 -17.3 42.2 2.9 23 55 A F E -B 16 0A 17 -7,-1.8 -7,-0.5 357,-0.2 2,-0.5 -0.989 12.1-145.7-133.0 132.0 -14.5 39.6 3.1 24 56 A L - 0 0 5 -2,-0.4 2,-1.1 349,-0.1 312,-0.2 -0.898 17.6-138.4-100.6 127.9 -13.6 37.3 6.0 25 57 A X E -c 336 0B 0 310,-2.9 312,-2.1 -2,-0.5 2,-1.2 -0.743 20.9-178.8 -90.3 102.0 -9.9 36.7 6.3 26 58 A L E +c 337 0B 1 -2,-1.1 27,-2.1 310,-0.2 28,-1.3 -0.821 35.4 171.5 -92.8 86.5 -9.5 33.0 7.1 27 59 A A E -d 54 0B 0 310,-2.3 2,-0.3 -2,-1.2 28,-0.2 -0.428 33.8-165.2-103.4 170.1 -5.8 33.5 7.2 28 60 A A E -d 55 0B 0 26,-1.0 28,-2.8 310,-0.2 2,-0.4 -0.967 16.5-138.1-146.2 149.7 -2.6 31.8 8.1 29 61 A Q E -de 56 340B 0 310,-2.5 313,-2.4 -2,-0.3 312,-2.1 -0.929 12.3-135.9-112.1 135.2 0.9 33.1 8.6 30 62 A V - 0 0 2 26,-1.8 311,-0.1 -2,-0.4 313,-0.1 -0.331 41.2 -83.2 -72.8 160.7 4.2 31.5 7.4 31 63 A N > - 0 0 7 1,-0.1 3,-1.9 309,-0.1 4,-0.2 -0.239 43.8-103.1 -66.0 161.1 7.2 31.3 9.6 32 64 A N T 3 S+ 0 0 42 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.685 119.3 41.0 -62.6 -24.9 9.5 34.3 9.9 33 65 A S T 3 S+ 0 0 90 1,-0.1 -1,-0.3 6,-0.0 -2,-0.1 -0.025 91.8 89.5-112.7 26.2 12.2 32.9 7.7 34 66 A S < + 0 0 2 -3,-1.9 2,-2.0 1,-0.1 5,-0.2 0.480 52.1 99.0 -98.9 -7.5 10.0 31.4 5.0 35 67 A A + 0 0 6 -3,-0.2 25,-0.2 -4,-0.2 -1,-0.1 -0.416 62.7 100.7 -87.0 62.5 9.6 34.3 2.6 36 68 A W S >> S- 0 0 111 -2,-2.0 3,-1.7 1,-0.1 4,-0.7 -0.987 82.0-115.1-140.5 149.5 12.3 33.1 0.2 37 69 A P G >4 S+ 0 0 72 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.902 113.0 58.4 -53.7 -39.6 12.0 31.4 -3.1 38 70 A S G 34 S+ 0 0 88 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.663 106.1 49.7 -62.4 -19.5 13.7 28.2 -1.8 39 71 A Q G X> S+ 0 0 51 -3,-1.7 3,-1.7 -5,-0.2 4,-0.7 0.540 81.7 90.4 -98.0 -5.7 11.0 27.7 0.9 40 72 A X H XX S+ 0 0 6 -3,-1.4 4,-2.3 -4,-0.7 3,-0.8 0.843 80.7 60.3 -69.9 -28.0 7.9 28.1 -1.2 41 73 A A H 34 S+ 0 0 84 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.700 109.8 44.2 -66.3 -22.0 7.7 24.3 -1.9 42 74 A K H <4 S+ 0 0 104 -3,-1.7 302,-3.3 -8,-0.1 -1,-0.3 0.449 116.2 48.2 -95.4 -6.3 7.4 23.8 1.9 43 75 A V H XX S+ 0 0 1 -3,-0.8 4,-2.2 -4,-0.7 3,-0.8 0.870 103.1 54.4 -96.5 -55.7 4.9 26.7 2.3 44 76 A W H 3X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.825 103.2 54.8 -56.7 -38.3 2.3 26.1 -0.4 45 77 A P H 3> S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.875 112.2 45.2 -60.5 -35.7 1.4 22.5 0.5 46 78 A A H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.919 113.8 48.5 -70.6 -46.1 0.6 23.6 4.1 47 79 A I H X>S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 5,-1.0 0.876 113.4 47.0 -63.7 -42.5 -1.4 26.6 3.0 48 80 A E H <5S+ 0 0 107 -4,-2.8 3,-0.4 -5,-0.2 -2,-0.2 0.934 112.8 50.5 -62.6 -45.8 -3.4 24.5 0.5 49 81 A K H <5S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.921 109.1 50.3 -56.2 -46.7 -4.0 21.9 3.2 50 82 A V H <5S- 0 0 0 -4,-2.8 319,-0.2 -5,-0.1 -1,-0.2 0.752 102.1-135.3 -73.2 -19.7 -5.2 24.4 5.8 51 83 A G T <5 + 0 0 26 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.1 0.737 38.6 171.0 75.5 23.3 -7.6 25.9 3.3 52 84 A A < - 0 0 8 -5,-1.0 -25,-0.2 1,-0.1 -1,-0.2 -0.349 30.4-157.1 -63.6 144.6 -6.8 29.6 4.1 53 85 A N S S+ 0 0 29 -27,-2.1 36,-2.5 1,-0.2 2,-0.3 0.509 82.4 36.2 -96.6 -7.5 -8.3 32.2 1.8 54 86 A T E -df 27 89B 0 -28,-1.3 -26,-1.0 34,-0.2 2,-0.4 -0.998 68.9-156.4-145.6 140.3 -5.6 34.7 2.8 55 87 A V E -df 28 90B 0 34,-2.4 36,-2.3 -2,-0.3 2,-0.5 -0.979 9.8-144.8-123.7 131.2 -1.9 34.2 3.6 56 88 A Q E +df 29 91B 0 -28,-2.8 -26,-1.8 -2,-0.4 36,-0.2 -0.852 26.2 175.9 -91.4 124.6 0.3 36.6 5.7 57 89 A V E - f 0 92B 2 34,-1.9 36,-2.5 -2,-0.5 2,-0.2 -0.996 28.6-117.6-132.4 130.8 3.9 36.8 4.4 58 90 A P E - f 0 93B 3 0, 0.0 2,-0.5 0, 0.0 36,-0.2 -0.448 14.8-163.3 -61.0 133.1 6.9 39.0 5.6 59 91 A I E - f 0 94B 1 34,-3.1 36,-2.2 -2,-0.2 2,-0.3 -0.972 22.3-153.2-114.6 106.0 8.3 41.5 3.3 60 92 A A E >> - f 0 95B 7 -2,-0.5 4,-1.9 34,-0.2 3,-1.0 -0.640 18.0-140.5 -83.0 133.9 11.7 42.2 5.0 61 93 A W H 3> S+ 0 0 0 34,-2.6 4,-2.4 -2,-0.3 45,-0.2 0.910 105.9 58.7 -56.0 -41.5 13.5 45.5 4.5 62 94 A E H 34 S+ 0 0 72 43,-2.3 -1,-0.3 33,-0.3 46,-0.1 0.760 107.5 46.9 -62.5 -26.4 16.7 43.6 4.4 63 95 A Q H <4 S+ 0 0 23 -3,-1.0 -1,-0.2 42,-0.2 -2,-0.2 0.876 117.0 40.7 -80.0 -39.5 15.4 41.7 1.4 64 96 A I H < S+ 0 0 1 -4,-1.9 8,-2.5 1,-0.2 -2,-0.2 0.721 128.9 25.2 -86.2 -22.9 14.1 44.6 -0.6 65 97 A E < + 0 0 9 -4,-2.4 -1,-0.2 6,-0.2 6,-0.2 -0.495 64.3 155.3-138.3 63.2 16.9 47.1 0.1 66 98 A P S S+ 0 0 69 0, 0.0 2,-0.4 0, 0.0 43,-0.3 0.774 79.1 31.5 -65.9 -27.6 20.1 45.2 0.8 67 99 A V B > S-M 70 0C 74 3,-0.6 3,-2.8 -3,-0.1 0, 0.0 -0.978 112.8 -87.0-127.5 137.6 22.2 48.1 -0.4 68 100 A E T 3 S- 0 0 86 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.224 111.0 -0.2 -55.7 124.9 20.9 51.6 0.1 69 101 A G T 3 S+ 0 0 52 1,-0.1 2,-0.7 -4,-0.1 -1,-0.3 0.547 101.5 112.3 74.0 9.7 18.7 52.7 -2.8 70 102 A Q B < -M 67 0C 128 -3,-2.8 -3,-0.6 2,-0.0 2,-0.2 -0.817 54.2-166.5-111.2 86.9 19.2 49.4 -4.6 71 103 A F - 0 0 75 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.523 12.7-172.5 -83.0 140.0 15.7 47.9 -4.4 72 104 A D + 0 0 74 -8,-2.5 3,-0.2 -2,-0.2 4,-0.2 -0.942 15.8 164.3-135.4 108.1 15.0 44.3 -5.2 73 105 A F > + 0 0 24 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 0.070 40.2 117.2-110.7 25.5 11.3 43.2 -5.3 74 106 A S H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.837 75.1 51.0 -65.3 -37.4 11.9 39.9 -7.1 75 107 A Y H > S+ 0 0 6 -3,-0.2 4,-2.8 2,-0.2 3,-0.2 0.956 108.8 50.9 -64.9 -47.8 10.6 37.8 -4.3 76 108 A L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.929 108.6 53.3 -53.1 -43.8 7.4 39.8 -4.0 77 109 A D H X S+ 0 0 55 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.892 110.9 45.9 -59.7 -38.9 6.9 39.3 -7.8 78 110 A L H X S+ 0 0 46 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.914 111.9 51.3 -66.9 -43.3 7.2 35.6 -7.3 79 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.906 107.3 52.6 -63.9 -42.5 4.9 35.6 -4.3 80 112 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.931 111.1 48.3 -58.2 -46.0 2.2 37.5 -6.3 81 113 A E H X S+ 0 0 106 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.925 113.9 44.5 -57.4 -48.4 2.5 34.9 -9.1 82 114 A Q H X S+ 0 0 33 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.870 112.1 52.3 -70.0 -38.7 2.2 31.9 -6.7 83 115 A A H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 4,-0.4 0.931 109.3 49.6 -62.6 -46.8 -0.6 33.3 -4.7 84 116 A R H ><5S+ 0 0 73 -4,-2.3 3,-1.1 -5,-0.3 -2,-0.2 0.880 106.1 56.1 -61.9 -39.4 -2.6 34.0 -7.8 85 117 A E H 3<5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.2 42.4 -58.2 -36.8 -2.1 30.4 -9.0 86 118 A R T 3<5S- 0 0 80 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.353 108.9-124.9 -91.7 1.8 -3.6 29.2 -5.7 87 119 A K T < 5 + 0 0 189 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.898 64.9 132.8 53.9 45.8 -6.4 31.7 -5.7 88 120 A V < - 0 0 14 -5,-1.9 -34,-0.2 -33,-0.0 2,-0.2 -0.864 51.6-128.6-115.7 158.9 -5.5 33.1 -2.2 89 121 A R E -f 54 0B 43 -36,-2.5 -34,-2.4 -2,-0.3 2,-0.4 -0.593 23.7-130.8 -96.1 168.1 -5.2 36.7 -1.2 90 122 A L E -fg 55 163B 0 72,-2.3 74,-2.6 -36,-0.2 75,-0.9 -0.928 15.7-164.0-123.5 145.0 -2.1 38.2 0.6 91 123 A V E -fg 56 165B 0 -36,-2.3 -34,-1.9 -2,-0.4 2,-0.4 -0.988 24.7-146.5-117.4 118.3 -1.5 40.3 3.5 92 124 A L E -fg 57 166B 0 73,-1.6 75,-2.9 -2,-0.5 2,-0.7 -0.692 3.1-149.0 -84.0 136.1 2.1 41.7 3.4 93 125 A L E -fg 58 167B 0 -36,-2.5 -34,-3.1 -2,-0.4 2,-0.9 -0.906 9.7-144.6-107.1 109.3 3.9 42.1 6.7 94 126 A W E -fg 59 168B 0 73,-2.9 75,-0.9 -2,-0.7 2,-0.9 -0.649 13.5-168.9 -76.3 105.8 6.4 45.0 6.5 95 127 A F E +f 60 0B 0 -36,-2.2 -34,-2.6 -2,-0.9 -33,-0.3 -0.832 39.3 120.4 -93.9 93.9 9.3 44.0 8.7 96 128 A G E S- 0 0 0 -2,-0.9 9,-0.4 2,-0.6 10,-0.2 0.330 75.2 -2.3-119.6-110.7 11.3 47.3 9.0 97 129 A T E S+ 0 0 1 1,-0.2 2,-0.4 8,-0.1 34,-0.4 0.818 131.5 35.0 -63.9 -33.6 12.3 49.3 12.0 98 130 A W E + 0 0 0 5,-0.1 72,-2.0 32,-0.1 -2,-0.6 -0.984 51.3 158.8-128.2 124.5 10.5 46.9 14.4 99 131 A K E > S-Hg 102 170B 19 3,-2.2 3,-2.0 -2,-0.4 5,-0.3 -0.937 94.8 -19.1-131.8 112.6 10.0 43.2 14.3 100 132 A N T 3 S- 0 0 65 70,-2.2 71,-0.2 -2,-0.4 72,-0.2 0.917 130.0 -54.0 49.7 43.8 9.2 42.0 17.8 101 133 A S T 3 S+ 0 0 4 70,-1.2 30,-0.3 69,-0.6 -1,-0.3 0.243 120.5 102.0 86.6 -7.5 10.7 45.2 19.1 102 134 A S B < S-H 99 0B 28 -3,-2.0 -3,-2.2 28,-0.1 3,-0.4 -0.778 70.4-136.7-117.6 151.3 14.0 44.8 17.3 103 135 A P > + 0 0 6 0, 0.0 3,-2.0 0, 0.0 8,-0.2 0.097 65.2 124.0 -83.2 22.4 15.6 46.2 14.1 104 136 A S T 3 S+ 0 0 50 -5,-0.3 -7,-0.1 1,-0.3 -6,-0.1 0.738 70.4 51.9 -63.2 -22.8 16.9 42.7 13.1 105 137 A Y T 3 S+ 0 0 26 -3,-0.4 -43,-2.3 -9,-0.4 -1,-0.3 0.442 86.4 101.6 -93.1 -1.6 15.1 42.8 9.6 106 138 A A S < S- 0 0 1 -3,-2.0 -10,-0.1 -10,-0.2 -44,-0.0 -0.534 87.4 -97.5 -70.8 146.0 16.6 46.2 8.7 107 139 A P >> - 0 0 3 0, 0.0 4,-2.3 0, 0.0 3,-2.2 -0.240 34.2-104.6 -59.7 160.5 19.5 45.9 6.3 108 140 A E H 3> S+ 0 0 136 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.859 119.5 63.9 -58.3 -34.6 23.1 46.0 7.7 109 141 A W H 34 S+ 0 0 46 -43,-0.3 -1,-0.3 2,-0.2 -42,-0.1 0.656 114.4 34.4 -69.2 -9.7 23.6 49.5 6.5 110 142 A V H X4 S+ 0 0 1 -3,-2.2 3,-1.8 -7,-0.1 7,-0.3 0.822 122.2 39.3 -98.2 -63.0 20.8 50.5 8.9 111 143 A K H 3< S+ 0 0 53 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.633 116.8 49.6 -72.1 -16.6 21.1 48.2 11.9 112 144 A L T 3< S+ 0 0 127 -4,-2.3 2,-0.4 -5,-0.3 -1,-0.3 0.257 99.7 71.2-100.8 9.8 25.0 48.3 12.1 113 145 A D <> + 0 0 58 -3,-1.8 4,-2.6 1,-0.1 3,-0.4 -0.654 52.6 160.2-122.2 75.7 25.1 52.0 11.9 114 146 A D T 4 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.847 71.2 61.5 -68.6 -33.2 23.9 53.2 15.2 115 147 A K T 4 S+ 0 0 172 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.904 115.3 33.3 -57.8 -40.7 25.4 56.6 14.9 116 148 A R T 4 S+ 0 0 96 -3,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.832 134.0 28.9 -82.1 -38.4 23.3 57.3 11.8 117 149 A F S < S- 0 0 2 -4,-2.6 -1,-0.3 -7,-0.3 -2,-0.1 -0.789 93.0-152.7-126.8 86.6 20.2 55.3 12.9 118 150 A P - 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