==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-06 2J25 . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BRUMSHTEIN,M.R.WORMALD,I.SILMAN,A.H.FUTERMAN,J.L.SUSSMAN . 994 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 14.0 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 75 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.6 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 4 0 2 3 0 2 4 3 2 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 3 4 2 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 3 4 2 1 4 7 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 0 0 2 0 0 0 2 2 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 1 A A 0 0 85 0, 0.0 25,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -51.8 79.6 73.5 -4.3 2 2 A R B -A 25 0A 104 23,-1.2 23,-0.7 21,-0.1 3,-0.1 -0.946 360.0-140.7-122.9 125.3 77.5 72.4 -7.3 3 3 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 22,-0.0 -0.253 34.5 -87.0 -78.5 172.2 73.8 72.4 -7.6 4 4 A a - 0 0 26 44,-0.2 14,-0.1 20,-0.1 44,-0.1 -0.603 28.2-141.4 -81.8 127.6 71.7 69.7 -9.2 5 5 A I - 0 0 77 -2,-0.4 12,-3.1 12,-0.4 2,-0.1 -0.765 29.5-142.8 -85.0 100.7 71.0 70.0 -12.9 6 6 A P E +B 16 0B 84 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.338 23.2 178.9 -71.3 136.9 67.4 68.8 -13.1 7 7 A K E -B 15 0B 98 8,-2.2 8,-2.4 -2,-0.1 2,-0.4 -1.000 15.7-147.3-130.1 142.2 66.0 66.7 -15.9 8 8 A S + 0 0 78 -2,-0.4 6,-0.1 6,-0.2 347,-0.1 -0.866 16.1 179.2-103.6 139.0 62.4 65.4 -16.3 9 9 A F - 0 0 72 345,-0.6 345,-0.1 4,-0.5 -1,-0.1 0.033 68.0 -84.8-121.9 21.0 61.6 62.1 -18.0 10 10 A G S S+ 0 0 69 1,-0.3 345,-0.1 343,-0.1 2,-0.1 0.313 95.3 109.6 100.6 -6.6 57.9 62.4 -17.4 11 11 A Y S S- 0 0 69 343,-0.6 -1,-0.3 2,-0.3 345,-0.1 -0.221 89.1 -73.2 -95.3-173.1 57.6 61.0 -13.9 12 12 A S S S+ 0 0 59 -3,-0.1 2,-0.3 -2,-0.1 344,-0.2 0.582 106.7 1.3 -64.5 -12.6 56.7 62.7 -10.6 13 13 A S S S- 0 0 8 342,-0.8 -4,-0.5 341,-0.2 -2,-0.3 -0.949 78.3 -80.0-161.9-177.8 60.1 64.4 -10.3 14 14 A V - 0 0 24 30,-0.4 2,-0.2 -2,-0.3 -6,-0.2 -0.517 22.3-142.7 -95.7 154.3 63.5 65.2 -11.7 15 15 A V E -B 7 0B 0 -8,-2.4 -8,-2.2 -2,-0.2 2,-0.6 -0.647 28.8-114.6 -96.2 166.2 66.9 63.4 -11.9 16 16 A a E -BC 6 413B 0 397,-1.2 397,-1.8 -2,-0.2 2,-0.5 -0.937 28.0-136.9-102.8 119.3 70.1 65.2 -11.5 17 17 A V E + C 0 412B 26 -12,-3.1 2,-0.4 -2,-0.6 -12,-0.4 -0.641 27.3 175.6 -79.8 123.0 72.2 65.1 -14.7 18 18 A b E + C 0 411B 0 393,-2.7 393,-3.1 -2,-0.5 5,-0.2 -0.950 4.6 161.3-123.5 144.1 75.8 64.4 -14.2 19 19 A N - 0 0 56 3,-2.3 391,-0.2 -2,-0.4 84,-0.1 -0.414 56.1 -55.6-137.8-143.1 78.4 63.9 -16.9 20 20 A A S S+ 0 0 22 389,-0.3 83,-0.1 1,-0.2 82,-0.1 0.758 131.2 23.1 -80.2 -24.1 82.1 64.0 -17.5 21 21 A T S S+ 0 0 112 1,-0.2 2,-0.4 79,-0.0 -1,-0.2 0.436 120.9 50.6-119.9 -8.3 82.8 67.6 -16.2 22 22 A Y + 0 0 39 2,-0.0 -3,-2.3 -17,-0.0 2,-0.3 -0.942 47.2 147.9-147.8 123.8 79.8 68.3 -14.0 23 23 A b - 0 0 7 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.989 49.6-101.5-150.0 147.0 78.0 66.6 -11.1 24 24 A D + 0 0 12 -2,-0.3 2,-0.3 -19,-0.1 -20,-0.1 -0.518 50.9 170.9 -72.9 127.5 76.2 68.0 -8.1 25 25 A S B -A 2 0A 25 -23,-0.7 -23,-1.2 -2,-0.3 2,-0.2 -0.845 26.3-120.7-134.0 167.4 78.4 67.9 -5.1 26 26 A F - 0 0 32 86,-1.8 23,-0.0 -2,-0.3 88,-0.0 -0.699 21.0-119.5-106.2 160.1 78.4 69.1 -1.5 27 27 A D - 0 0 100 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.517 55.7 -72.7 -82.0 161.0 80.8 71.4 0.4 28 28 A P - 0 0 103 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.307 64.3-101.3 -47.5 138.1 82.6 70.0 3.5 29 29 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 83,-0.0 -0.439 38.1-135.1 -68.8 138.2 79.9 69.7 6.3 30 30 A T - 0 0 99 -2,-0.1 8,-0.0 -3,-0.1 -3,-0.0 -0.814 6.3-137.4-102.2 139.9 80.0 72.5 8.8 31 31 A F - 0 0 138 -2,-0.4 463,-0.0 463,-0.0 2,-0.0 -0.752 36.4-162.4 -84.6 86.2 79.8 72.2 12.6 32 32 A P - 0 0 21 0, 0.0 463,-0.3 0, 0.0 3,-0.1 -0.199 23.6 -78.1 -75.2 168.6 77.4 75.2 13.3 33 33 A A > - 0 0 65 1,-0.1 3,-2.0 2,-0.1 462,-0.2 -0.174 47.7 -90.3 -75.3 152.7 76.8 77.0 16.6 34 34 A L T 3 S+ 0 0 99 1,-0.3 -1,-0.1 463,-0.1 462,-0.1 -0.224 118.2 33.5 -48.0 144.8 74.8 75.9 19.6 35 35 A G T 3 S+ 0 0 23 460,-0.4 21,-4.4 1,-0.2 2,-0.4 0.311 106.4 95.9 80.1 -9.8 71.2 77.3 19.2 36 36 A T E < -F 55 0C 43 -3,-2.0 459,-0.6 19,-0.3 2,-0.3 -0.912 56.4-164.4-114.7 141.1 71.6 76.9 15.4 37 37 A F E -FG 54 494C 6 17,-2.7 17,-2.2 -2,-0.4 2,-0.3 -0.908 12.4-136.6-122.3 153.2 70.4 73.9 13.3 38 38 A S E -FG 53 493C 4 455,-3.4 455,-2.4 -2,-0.3 2,-0.4 -0.848 17.1-162.6-105.4 145.8 71.3 72.7 9.8 39 39 A R E -FG 52 492C 44 13,-3.1 13,-2.7 -2,-0.3 2,-0.5 -0.997 10.2-168.6-132.4 130.4 68.6 71.6 7.4 40 40 A Y E -FG 51 491C 10 451,-2.1 451,-2.4 -2,-0.4 2,-0.4 -0.985 20.1-167.3-116.7 121.0 69.0 69.5 4.3 41 41 A E E +FG 50 490C 30 9,-2.3 9,-2.8 -2,-0.5 2,-0.4 -0.922 17.5 178.9-118.0 131.8 65.9 69.5 2.2 42 42 A S E - G 0 489C 0 447,-2.5 447,-2.5 -2,-0.4 2,-0.3 -0.997 13.4-177.4-126.4 141.4 64.8 67.4 -0.8 43 43 A T E > - G 0 488C 5 4,-2.2 3,-1.7 -2,-0.4 445,-0.2 -0.981 38.8-122.9-139.7 145.7 61.4 67.9 -2.3 44 44 A R T 3 S+ 0 0 92 443,-2.6 -30,-0.4 -2,-0.3 -1,-0.1 0.889 111.3 65.6 -53.5 -42.4 59.4 66.3 -5.1 45 45 A S T 3 S- 0 0 113 442,-0.2 -1,-0.3 -32,-0.1 443,-0.1 0.768 131.5 -83.0 -56.3 -27.8 59.1 69.7 -6.7 46 46 A G S < S+ 0 0 28 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.493 80.2 135.6 145.2 4.0 62.9 69.6 -7.2 47 47 A R - 0 0 115 -4,-0.2 -4,-2.2 3,-0.0 2,-0.5 -0.597 35.5-158.3 -74.3 136.2 65.0 70.6 -4.3 48 48 A R - 0 0 19 -2,-0.3 -6,-0.2 -6,-0.2 -44,-0.2 -0.920 62.9 -43.4-124.0 107.7 67.9 68.1 -3.7 49 49 A M S S- 0 0 4 -2,-0.5 2,-0.3 1,-0.2 -7,-0.2 0.869 80.9-174.9 37.8 52.0 69.6 68.0 -0.3 50 50 A E E -F 41 0C 90 -9,-2.8 -9,-2.3 1,-0.1 2,-0.6 -0.616 17.8-132.8 -80.3 131.4 69.5 71.8 -0.1 51 51 A L E +F 40 0C 91 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.739 37.3 152.0 -92.0 122.2 71.3 73.3 2.9 52 52 A S E -F 39 0C 46 -13,-2.7 -13,-3.1 -2,-0.6 2,-0.3 -0.873 24.4-150.1-130.7 170.5 69.6 76.0 4.9 53 53 A M E +F 38 0C 89 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.930 15.3 171.3-137.7 161.8 70.0 76.8 8.6 54 54 A G E -F 37 0C 16 -17,-2.2 -17,-2.7 -2,-0.3 2,-0.3 -0.926 32.0 -78.1-156.2-175.1 68.0 78.3 11.4 55 55 A P E -F 36 0C 77 0, 0.0 2,-0.7 0, 0.0 426,-0.5 -0.686 20.6-146.2 -93.4 141.3 67.6 79.1 15.1 56 56 A I - 0 0 13 -21,-4.4 424,-0.2 -2,-0.3 2,-0.2 -0.956 30.9-158.3-100.1 111.6 66.7 76.7 18.0 57 57 A Q B -H 479 0C 87 422,-1.9 422,-2.8 -2,-0.7 -22,-0.1 -0.537 22.1-133.8 -94.9 156.8 64.7 79.0 20.3 58 58 A A S S+ 0 0 92 420,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.545 88.4 63.2 -90.4 -6.9 64.1 78.5 24.0 59 59 A N S S- 0 0 72 420,-0.1 2,-0.6 0, 0.0 420,-0.2 -0.750 82.5-124.0-109.2 162.1 60.4 79.3 23.7 60 60 A H + 0 0 77 -2,-0.3 -2,-0.0 1,-0.1 411,-0.0 -0.890 27.5 171.5-119.8 112.0 57.7 77.4 21.8 61 61 A T + 0 0 68 -2,-0.6 -1,-0.1 418,-0.0 410,-0.0 0.777 49.9 93.1 -84.5 -31.3 55.6 79.2 19.1 62 62 A G - 0 0 28 1,-0.1 -2,-0.1 3,-0.1 4,-0.0 0.049 47.0-168.8 -66.2 168.6 53.8 76.2 17.5 63 63 A T + 0 0 141 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.255 69.9 83.0-126.1 -1.8 50.5 74.5 18.1 64 64 A G S S- 0 0 22 1,-0.2 406,-0.1 406,-0.0 404,-0.0 0.157 90.2 -26.5 -90.1-157.9 51.3 71.6 15.9 65 65 A L E -i 470 0C 4 404,-0.9 406,-1.5 1,-0.1 2,-0.5 -0.205 52.7-154.2 -53.4 137.1 53.2 68.3 16.2 66 66 A L E -i 471 0C 35 404,-0.2 373,-0.7 -3,-0.1 2,-0.7 -0.890 8.0-169.5-123.5 100.9 55.9 68.1 18.7 67 67 A L E -iJ 472 438C 4 404,-1.9 406,-2.9 -2,-0.5 2,-0.5 -0.806 15.6-163.0 -82.4 117.1 58.7 65.6 18.1 68 68 A T E -iJ 473 437C 26 369,-2.5 369,-2.7 -2,-0.7 406,-0.2 -0.925 10.7-136.5-110.1 124.7 60.7 65.6 21.3 69 69 A L E - J 0 436C 0 404,-3.4 367,-0.2 -2,-0.5 3,-0.1 -0.367 12.9-165.2 -71.2 157.0 64.2 64.1 21.3 70 70 A Q E - J 0 435C 68 365,-1.5 365,-1.2 3,-0.1 3,-0.5 -0.507 7.9-177.6-147.7 74.7 65.1 61.9 24.2 71 71 A P E S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 379,-0.0 0.660 80.9 61.7 -54.2 -21.5 68.9 61.5 24.3 72 72 A E E S+ 0 0 147 -3,-0.1 2,-0.4 362,-0.1 -2,-0.0 0.983 81.7 81.2 -72.2 -56.9 68.5 59.1 27.2 73 73 A Q E S- 0 0 97 -3,-0.5 362,-1.1 1,-0.0 2,-0.5 -0.274 73.1-169.5 -42.3 102.7 66.5 56.4 25.4 74 74 A K E + J 0 434C 94 -2,-0.4 360,-0.2 360,-0.2 2,-0.1 -0.899 16.0 160.2-116.4 131.8 69.3 54.6 23.7 75 75 A F E - 0 0 68 358,-2.7 297,-0.1 -2,-0.5 359,-0.1 -0.072 45.7 -12.0-119.8-142.3 69.0 52.0 21.0 76 76 A Q E - 0 0 23 295,-0.2 357,-2.8 356,-0.1 2,-0.4 -0.178 54.2-127.3 -69.0 150.5 71.2 50.5 18.2 77 77 A K E - J 0 432C 127 355,-0.2 2,-0.3 297,-0.1 355,-0.2 -0.810 33.9-113.2 -90.9 138.7 74.6 51.8 17.0 78 78 A V - 0 0 3 353,-3.1 352,-2.1 -2,-0.4 353,-0.2 -0.532 23.9-170.6 -81.8 128.8 74.8 52.3 13.3 79 79 A K - 0 0 32 297,-3.5 2,-0.3 -2,-0.3 298,-0.2 0.923 52.2-102.4 -81.6 -46.0 77.1 50.1 11.2 80 80 A G E -o 377 0D 0 296,-1.1 298,-2.1 348,-0.1 2,-0.4 -0.962 24.1 -82.9 154.9-172.1 76.6 52.1 8.0 81 81 A F E +o 378 0D 1 -2,-0.3 36,-3.1 296,-0.2 37,-1.2 -0.982 48.3 122.3-133.9 144.0 75.2 52.7 4.6 82 82 A G E -op 379 118D 0 296,-1.9 298,-3.4 -2,-0.4 2,-0.3 -0.889 37.2-120.7-168.7-158.7 76.1 51.4 1.1 83 83 A G E - p 0 119D 0 35,-1.1 37,-2.6 296,-0.3 2,-0.5 -0.907 36.9 -78.7-156.8-179.8 75.3 49.6 -2.0 84 84 A A E -op 382 120D 0 297,-3.5 299,-2.2 -2,-0.3 2,-1.5 -0.782 17.2-148.1-103.8 132.0 76.4 46.6 -4.1 85 85 A M + 0 0 0 35,-3.1 2,-0.1 -2,-0.5 297,-0.1 -0.632 39.5 170.9 -86.3 75.5 79.3 46.5 -6.5 86 86 A T > - 0 0 0 -2,-1.5 4,-2.7 35,-0.1 5,-0.3 -0.402 50.8-104.4 -84.8 165.3 77.6 44.0 -8.8 87 87 A D H > S+ 0 0 4 41,-0.6 4,-1.4 1,-0.2 42,-0.2 0.848 124.1 52.1 -53.6 -34.2 79.0 43.0 -12.2 88 88 A A H > S+ 0 0 0 40,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.890 111.1 44.3 -77.5 -39.3 76.3 45.2 -13.7 89 89 A A H >> S+ 0 0 0 39,-0.2 4,-2.7 2,-0.2 3,-0.9 0.990 112.8 50.4 -66.1 -58.5 77.2 48.2 -11.6 90 90 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.836 111.9 52.7 -44.1 -36.8 80.9 47.8 -12.1 91 91 A L H 3X S+ 0 0 61 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.3 0.842 109.9 43.7 -77.3 -34.3 80.1 47.6 -15.8 92 92 A N H XX S+ 0 0 8 -4,-1.8 3,-1.0 -3,-0.9 4,-0.7 0.944 114.7 49.3 -76.3 -47.5 78.0 50.7 -16.1 93 93 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.944 110.9 51.4 -49.7 -48.3 80.5 52.8 -14.0 94 94 A L H 3< S+ 0 0 51 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.700 99.4 65.4 -70.3 -12.5 83.3 51.5 -16.1 95 95 A A H << S+ 0 0 48 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.678 87.0 84.5 -83.9 -15.9 81.5 52.5 -19.3 96 96 A L S << S- 0 0 4 -3,-1.5 5,-0.1 -4,-0.7 310,-0.1 -0.490 96.8 -92.5 -79.1 156.7 81.7 56.2 -18.4 97 97 A S >> - 0 0 36 -2,-0.2 4,-2.0 1,-0.1 3,-1.2 -0.436 46.9-102.6 -67.6 142.2 84.8 58.2 -19.3 98 98 A P H 3> S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.792 121.6 52.2 -40.7 -44.5 87.2 58.3 -16.4 99 99 A P H 3> S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.935 111.5 47.3 -60.4 -43.0 86.3 61.8 -15.3 100 100 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.2 5,-0.2 0.873 106.6 59.8 -59.0 -40.6 82.6 60.8 -15.2 101 101 A Q H X S+ 0 0 11 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.898 105.9 47.5 -55.8 -42.2 83.5 57.7 -13.3 102 102 A N H X S+ 0 0 54 -4,-1.9 4,-3.7 -5,-0.2 5,-0.3 0.896 106.7 54.2 -73.9 -37.0 85.0 59.7 -10.6 103 103 A L H X S+ 0 0 36 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.897 111.4 48.5 -60.3 -38.4 82.1 62.1 -10.3 104 104 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.935 116.0 42.0 -60.8 -48.8 79.9 59.0 -9.9 105 105 A L H X>S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 5,-0.6 0.955 113.3 50.7 -69.9 -46.9 82.2 57.5 -7.2 106 106 A K H X5S+ 0 0 68 -4,-3.7 4,-1.5 1,-0.2 9,-0.3 0.911 105.1 63.2 -52.5 -38.9 82.7 60.7 -5.4 107 107 A S H <5S+ 0 0 5 -4,-1.7 7,-2.2 -5,-0.3 -1,-0.2 0.896 115.6 26.6 -53.9 -49.3 78.9 60.9 -5.5 108 108 A Y H <5S+ 0 0 0 -4,-1.5 8,-3.4 -3,-0.4 -1,-0.2 0.883 136.2 23.8 -80.0 -43.5 78.5 57.9 -3.4 109 109 A F H <5S+ 0 0 1 -4,-3.4 60,-1.0 6,-0.3 61,-0.4 0.737 97.2 86.4-107.1 -24.7 81.7 57.7 -1.3 110 110 A S S > S- 0 0 62 1,-0.1 3,-0.7 3,-0.1 8,-0.1 -0.516 80.4-116.4 -61.1 120.6 86.3 23.1 -12.9 139 139 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.331 84.9 9.6 -74.2 146.7 84.3 20.1 -11.7 140 140 A D T 3 S+ 0 0 109 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.861 73.9 140.8 58.1 45.9 85.4 18.0 -8.7 141 141 A D X + 0 0 16 -3,-0.7 3,-2.3 -5,-0.2 -1,-0.2 -0.618 14.9 162.1-105.3 60.1 88.2 20.3 -7.5 142 142 A F T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 0.781 76.4 54.0 -55.9 -25.5 87.4 19.7 -3.8 143 143 A Q T 3 S- 0 0 110 -3,-0.1 -1,-0.3 68,-0.0 -2,-0.0 0.713 106.7-135.4 -80.7 -19.8 90.8 21.0 -3.0 144 144 A L < + 0 0 0 -3,-2.3 -2,-0.1 -6,-0.1 -4,-0.0 0.946 51.6 148.4 62.1 53.5 90.0 24.2 -5.0 145 145 A H S S+ 0 0 153 1,-0.2 -3,-0.0 -9,-0.0 -1,-0.0 0.848 74.3 48.0 -80.7 -34.1 93.3 24.4 -6.9 146 146 A N S S+ 0 0 99 -8,-0.1 -9,-0.2 -5,-0.1 -1,-0.2 0.536 81.7 128.3 -83.3 -6.9 91.6 26.0 -9.9 147 147 A F + 0 0 22 -6,-0.1 2,-0.3 -11,-0.1 -11,-0.2 -0.243 33.4 145.0 -48.8 125.3 89.7 28.6 -7.8 148 148 A S - 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