==== 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 26-OCT-09 3KEH . COMPND 2 MOLECULE: GLUCOCEREBROSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.R.WEI,S.BOUCHER,C.Q.PAN,T.EDMUNDS . 994 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 675 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 13.8 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 . 9 0.9 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 . 62 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.3 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 3 1 2 2 1 1 4 4 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 4 3 3 2 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 . 4 2 4 2 1 2 9 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 62 0, 0.0 25,-0.1 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -74.5 29.2 68.0 -4.9 2 2 A R - 0 0 106 21,-0.2 23,-1.7 1,-0.1 20,-0.0 -0.870 360.0-138.2-115.4 131.6 31.3 68.9 -8.0 3 3 A P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.027 34.9 -74.1 -80.4-177.1 35.1 69.3 -8.0 4 4 A a - 0 0 29 44,-0.1 14,-0.1 20,-0.1 12,-0.1 -0.612 30.4-148.1 -77.7 133.3 37.4 71.9 -9.6 5 5 A I - 0 0 81 -2,-0.3 12,-2.8 12,-0.3 19,-0.1 -0.897 31.0-146.8 -92.0 104.3 37.9 71.8 -13.4 6 6 A P E -A 16 0A 82 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.377 22.4-177.5 -79.6 156.2 41.4 73.1 -13.6 7 7 A K E -A 15 0A 105 8,-1.6 8,-2.0 -2,-0.1 2,-0.2 -0.832 13.4-149.7-148.6 117.4 43.1 75.2 -16.3 8 8 A S E -A 14 0A 76 -2,-0.3 6,-0.1 6,-0.2 347,-0.1 -0.522 13.2-179.2 -72.6 145.3 46.7 76.3 -16.4 9 9 A F - 0 0 82 4,-0.5 345,-0.1 345,-0.4 -1,-0.1 -0.061 69.6 -77.1-131.1 28.6 47.7 79.6 -18.1 10 10 A G S S+ 0 0 68 1,-0.3 2,-0.2 3,-0.1 4,-0.1 0.664 97.7 120.3 84.1 16.6 51.4 79.5 -17.6 11 11 A Y S S- 0 0 56 2,-0.5 -1,-0.3 343,-0.3 345,-0.1 -0.584 82.4 -94.3-109.1 174.5 51.3 80.5 -13.9 12 12 A S S S+ 0 0 59 -2,-0.2 2,-0.2 -3,-0.1 344,-0.1 0.559 107.0 7.9 -70.4 -4.9 52.5 78.8 -10.7 13 13 A S S S- 0 0 8 342,-0.9 -4,-0.5 341,-0.1 -2,-0.5 -0.832 81.1-102.4-152.6-165.4 49.0 77.4 -10.3 14 14 A V E -A 8 0A 26 30,-0.4 341,-0.2 -2,-0.2 -6,-0.2 -0.776 15.4-131.5-124.5 162.4 45.6 77.1 -12.0 15 15 A V E -A 7 0A 0 -8,-2.0 -8,-1.6 -2,-0.3 2,-0.5 -0.561 29.1-111.6 -99.0 177.3 42.2 78.6 -12.0 16 16 A a E -AB 6 413A 0 397,-1.2 397,-2.0 -10,-0.2 2,-0.5 -0.964 27.0-136.7-116.2 131.2 38.8 76.7 -12.0 17 17 A V E + B 0 412A 22 -12,-2.8 2,-0.4 -2,-0.5 -12,-0.3 -0.720 24.2 173.3 -97.2 122.7 36.6 76.7 -15.0 18 18 A b E + B 0 411A 0 393,-2.5 393,-3.7 -2,-0.5 5,-0.2 -0.995 1.0 172.2-125.5 130.5 32.9 77.2 -14.8 19 19 A N - 0 0 64 3,-1.0 3,-0.4 -2,-0.4 391,-0.2 -0.351 56.9 -64.8-110.8-157.7 30.5 77.6 -17.7 20 20 A A S S+ 0 0 21 1,-0.2 82,-0.1 389,-0.2 3,-0.1 0.465 129.2 30.5 -77.0 -2.0 26.7 77.7 -17.8 21 21 A T S S+ 0 0 119 1,-0.3 2,-0.3 79,-0.0 -1,-0.2 0.458 117.0 46.1-131.8 -9.2 26.0 74.1 -16.7 22 22 A Y + 0 0 43 -3,-0.4 -3,-1.0 2,-0.0 2,-0.3 -0.997 52.0 156.3-137.4 129.8 29.0 73.2 -14.3 23 23 A b - 0 0 7 -2,-0.3 -21,-0.2 -5,-0.2 2,-0.2 -0.974 46.4-102.4-145.3 151.4 30.7 75.0 -11.4 24 24 A D + 0 0 12 -2,-0.3 2,-0.3 -19,-0.1 -20,-0.1 -0.505 54.5 164.4 -70.9 137.2 32.6 73.7 -8.5 25 25 A S - 0 0 23 -23,-1.7 2,-0.3 -2,-0.2 88,-0.2 -0.860 31.5-112.0-147.5 177.5 30.5 73.7 -5.3 26 26 A F - 0 0 31 86,-1.3 85,-0.0 -2,-0.3 -24,-0.0 -0.797 22.9-122.4-116.5 153.7 30.1 72.5 -1.8 27 27 A D - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 670,-0.0 -0.564 54.6 -74.2 -83.7 157.3 27.7 70.2 -0.0 28 28 A P S S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 84,-0.1 -0.360 71.3 -99.0 -47.7 130.4 25.6 71.4 2.9 29 29 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 83,-0.0 -0.225 37.2-146.4 -69.2 150.1 28.2 71.5 5.7 30 30 A T - 0 0 25 -3,-0.1 8,-0.0 608,-0.0 -3,-0.0 -0.712 4.8-142.2-111.5 159.3 28.6 68.8 8.2 31 31 A F - 0 0 105 -2,-0.3 3,-0.1 6,-0.0 2,-0.1 -0.823 19.8-147.1-128.7 93.0 29.6 68.9 11.8 32 32 A P - 0 0 5 0, 0.0 463,-0.6 0, 0.0 4,-0.3 -0.316 32.9 -85.5 -63.0 136.0 31.8 65.9 12.9 33 33 A A > - 0 0 6 605,-2.5 3,-2.8 1,-0.2 605,-0.1 0.050 56.0 -81.1 -32.4 132.5 31.5 64.5 16.4 34 34 A L T 3 S+ 0 0 87 1,-0.3 -1,-0.2 463,-0.2 462,-0.1 -0.187 127.0 42.0 -40.4 121.1 33.5 66.0 19.3 35 35 A G T 3 S+ 0 0 19 460,-0.4 21,-2.3 1,-0.2 2,-0.5 0.084 100.5 92.9 113.8 -16.9 36.9 64.4 18.8 36 36 A T E < -E 55 0B 2 -3,-2.8 459,-0.5 -4,-0.3 2,-0.3 -0.934 56.5-162.8-119.0 128.1 36.8 64.9 15.0 37 37 A F E -EF 54 494B 4 17,-1.8 17,-1.3 -2,-0.5 2,-0.4 -0.745 10.6-140.0-103.7 152.4 38.2 67.8 13.1 38 38 A S E -EF 53 493B 5 455,-3.2 455,-2.6 -2,-0.3 2,-0.4 -0.916 16.3-164.2-104.7 144.2 37.4 69.0 9.5 39 39 A R E -EF 52 492B 39 13,-2.6 13,-1.9 -2,-0.4 2,-0.5 -0.982 8.4-162.7-123.0 136.5 40.2 70.3 7.3 40 40 A Y E -EF 51 491B 15 451,-1.6 451,-1.8 -2,-0.4 2,-0.4 -0.987 17.8-169.6-112.6 128.3 39.9 72.3 4.1 41 41 A E E +EF 50 490B 30 9,-1.2 9,-2.0 -2,-0.5 8,-0.7 -0.911 17.4 174.6-117.1 141.7 43.0 72.3 1.9 42 42 A S E -EF 48 489B 0 447,-1.2 447,-1.9 -2,-0.4 2,-0.3 -0.957 15.8-172.5-133.2 136.9 43.9 74.3 -1.1 43 43 A T E > - F 0 488B 8 4,-2.2 3,-1.2 -2,-0.3 445,-0.2 -0.908 36.3-125.2-123.8 158.2 47.4 73.9 -2.5 44 44 A R T 3 S+ 0 0 99 443,-2.0 -30,-0.4 -2,-0.3 -1,-0.1 0.950 110.8 66.8 -58.4 -47.6 49.4 75.6 -5.2 45 45 A S T 3 S- 0 0 106 442,-0.2 -1,-0.3 1,-0.1 -32,-0.1 0.585 131.9 -81.3 -54.0 -12.7 49.9 72.2 -6.8 46 46 A G S < S+ 0 0 29 -3,-1.2 -1,-0.1 1,-0.4 -2,-0.1 0.233 83.2 131.7 139.4 -22.2 46.2 72.1 -7.5 47 47 A R - 0 0 120 1,-0.1 -4,-2.2 3,-0.0 -1,-0.4 -0.386 35.7-162.0 -64.7 142.9 44.0 71.1 -4.6 48 48 A R E -E 42 0B 17 -6,-0.3 -6,-0.3 -2,-0.0 -44,-0.1 -0.807 59.8 -43.8-138.1 92.1 41.0 73.5 -4.0 49 49 A M E S+ 0 0 8 -8,-0.7 2,-0.5 -2,-0.3 -7,-0.2 0.942 76.7 179.1 48.9 62.9 39.2 73.5 -0.7 50 50 A E E -E 41 0B 88 -9,-2.0 -9,-1.2 -47,-0.0 2,-0.3 -0.844 23.4-131.0-100.0 122.7 39.0 69.7 -0.3 51 51 A L E +E 40 0B 83 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.562 36.7 156.2 -78.0 128.0 37.4 68.4 2.8 52 52 A S E -E 39 0B 44 -13,-1.9 -13,-2.6 -2,-0.3 2,-0.3 -0.914 20.0-154.2-140.0 167.1 39.2 65.7 4.8 53 53 A M E +E 38 0B 33 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.934 15.7 159.8-142.7 165.2 38.9 64.7 8.5 54 54 A G E -E 37 0B 3 -17,-1.3 -17,-1.8 -2,-0.3 2,-0.2 -0.932 36.7 -60.0-166.3-168.0 40.8 63.1 11.4 55 55 A P E -E 36 0B 58 0, 0.0 2,-0.6 0, 0.0 426,-0.4 -0.504 16.9-150.4 -91.6 151.1 41.1 62.5 15.1 56 56 A I - 0 0 14 -21,-2.3 424,-0.2 -2,-0.2 2,-0.1 -0.825 36.0-170.8-108.9 83.9 41.7 65.0 18.0 57 57 A Q B -G 479 0B 65 422,-0.8 422,-2.8 -2,-0.6 -22,-0.0 -0.456 28.2-135.2 -77.3 147.7 43.6 62.4 20.1 58 58 A A S S+ 0 0 86 420,-0.2 2,-0.1 -2,-0.1 -1,-0.1 0.560 84.3 80.9 -80.5 -8.9 44.4 63.1 23.7 59 59 A N S S- 0 0 133 420,-0.1 420,-0.3 2,-0.0 2,-0.3 -0.424 76.4-135.9 -84.5 171.8 48.0 61.8 23.3 60 60 A H + 0 0 84 -2,-0.1 -2,-0.0 1,-0.1 411,-0.0 -0.679 35.1 158.3-135.7 82.1 50.7 64.0 21.8 61 61 A T + 0 0 113 -2,-0.3 2,-0.5 2,-0.0 -1,-0.1 0.371 50.1 100.0 -82.4 6.7 53.0 62.2 19.2 62 62 A G + 0 0 14 1,-0.1 409,-0.1 2,-0.0 419,-0.0 -0.818 43.9 179.5-105.1 126.4 54.0 65.5 17.5 63 63 A T + 0 0 142 -2,-0.5 -1,-0.1 407,-0.0 3,-0.1 0.057 57.0 72.5-119.1 26.4 57.3 67.1 18.3 64 64 A G S S- 0 0 35 1,-0.3 2,-0.2 404,-0.0 406,-0.1 0.064 95.8 -16.2-104.1-140.2 57.4 70.2 16.2 65 65 A L E -h 470 0B 5 404,-0.9 406,-2.3 -2,-0.1 2,-0.4 -0.427 58.9-152.3 -66.2 138.9 55.5 73.5 16.5 66 66 A L E -h 471 0B 34 404,-0.2 373,-1.2 -2,-0.2 2,-0.6 -0.926 8.4-162.1-115.5 133.7 52.5 73.7 18.7 67 67 A L E -hI 472 438B 6 404,-3.2 406,-2.1 -2,-0.4 2,-0.6 -0.939 16.3-160.6-113.1 108.8 49.5 76.1 18.3 68 68 A T E -hI 473 437B 28 369,-2.3 369,-2.2 -2,-0.6 2,-0.2 -0.801 12.2-135.6 -98.5 122.1 47.6 76.3 21.5 69 69 A L E - I 0 436B 1 404,-3.0 367,-0.2 -2,-0.6 3,-0.1 -0.520 16.4-170.3 -71.7 135.4 44.0 77.5 21.4 70 70 A Q E > + I 0 435B 82 365,-1.5 3,-2.7 -2,-0.2 365,-1.0 -0.581 9.2 174.5-127.6 68.1 43.4 80.0 24.2 71 71 A P E 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 379,-0.0 0.727 75.4 62.0 -54.9 -27.8 39.6 80.4 24.1 72 72 A E E 3 S+ 0 0 170 -3,-0.1 2,-1.1 1,-0.1 -2,-0.0 0.714 84.7 84.1 -71.4 -18.1 39.5 82.6 27.2 73 73 A Q E < S- 0 0 95 -3,-2.7 362,-2.0 362,-0.1 2,-0.4 -0.750 72.9-171.4 -84.7 101.9 41.7 85.2 25.5 74 74 A K E + I 0 434B 94 -2,-1.1 360,-0.2 360,-0.2 3,-0.1 -0.818 13.5 166.6-105.8 134.0 38.9 87.1 23.6 75 75 A F E - 0 0 60 358,-2.7 -1,-0.1 -2,-0.4 359,-0.0 -0.095 45.3 -21.9-120.5-146.6 39.4 89.8 20.9 76 76 A Q E - 0 0 26 295,-0.2 357,-1.6 356,-0.1 2,-0.4 -0.139 57.6-122.8 -64.1 161.0 37.2 91.6 18.3 77 77 A K E - I 0 432B 134 355,-0.2 2,-0.4 297,-0.1 355,-0.2 -0.878 30.6-111.4-106.8 143.3 33.9 90.3 16.9 78 78 A V - 0 0 4 353,-2.9 352,-2.4 -2,-0.4 353,-0.2 -0.550 23.3-173.3 -88.7 127.7 33.5 89.8 13.1 79 79 A K - 0 0 36 297,-3.0 2,-0.3 -2,-0.4 298,-0.2 0.935 53.1-116.4 -71.3 -49.6 31.2 91.8 10.8 80 80 A G E -n 377 0C 0 296,-1.0 298,-0.7 348,-0.1 2,-0.4 -0.881 22.3 -73.7 142.0-168.3 32.0 89.5 7.8 81 81 A F E +n 378 0C 1 -2,-0.3 36,-2.6 34,-0.2 37,-0.8 -0.958 50.3 119.5-132.9 141.3 33.4 89.3 4.3 82 82 A G E -no 379 118C 0 296,-1.5 298,-2.7 -2,-0.4 2,-0.3 -0.780 36.4-123.7-165.2-148.0 32.4 90.4 0.9 83 83 A G E -no 380 119C 0 35,-1.5 37,-1.2 296,-0.3 2,-0.3 -0.954 34.9 -69.6-169.6 173.8 33.4 92.5 -2.1 84 84 A A E -no 382 120C 0 297,-2.5 299,-2.1 296,-0.6 2,-1.5 -0.644 18.3-148.3 -94.9 134.7 32.2 95.4 -4.4 85 85 A M + 0 0 0 35,-2.2 297,-0.1 -2,-0.3 2,-0.1 -0.600 38.0 172.9 -90.5 68.0 29.4 95.4 -7.0 86 86 A T > - 0 0 0 -2,-1.5 4,-2.9 295,-0.1 5,-0.2 -0.389 49.7-105.3 -75.5 159.5 31.1 97.9 -9.4 87 87 A D H > S+ 0 0 1 41,-0.3 4,-3.2 1,-0.2 42,-0.2 0.941 125.4 54.8 -46.3 -52.9 29.8 98.8 -12.8 88 88 A A H > S+ 0 0 0 40,-2.4 4,-3.3 2,-0.2 5,-0.3 0.941 109.7 45.4 -40.8 -60.0 32.6 96.7 -14.2 89 89 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.946 113.3 48.4 -58.4 -52.7 31.5 93.7 -12.1 90 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.950 115.7 45.7 -52.9 -54.7 27.8 94.0 -12.9 91 91 A L H X S+ 0 0 54 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.957 112.4 48.1 -50.6 -63.0 28.7 94.3 -16.7 92 92 A N H X S+ 0 0 14 -4,-3.3 4,-0.8 292,-0.2 -1,-0.2 0.861 113.8 51.1 -49.7 -33.3 31.2 91.4 -16.8 93 93 A I H >< S+ 0 0 1 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.929 107.4 49.0 -74.6 -43.4 28.6 89.3 -14.9 94 94 A L H 3< S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.657 92.3 76.0 -77.1 -13.3 25.7 90.0 -17.2 95 95 A A H 3< S+ 0 0 43 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.988 87.3 83.2 -46.3 -55.1 27.8 89.2 -20.2 96 96 A L S << S- 0 0 2 -4,-0.8 314,-0.1 -3,-0.6 310,-0.1 0.020 95.4-101.4 -51.6 148.0 27.2 85.5 -19.0 97 97 A S >> - 0 0 37 312,-0.2 4,-2.4 1,-0.1 3,-1.0 -0.446 42.3-101.7 -64.5 146.9 24.0 83.6 -19.8 98 98 A P H 3> S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.802 122.7 51.0 -45.9 -44.6 21.5 83.5 -16.9 99 99 A P H 3> S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.903 112.7 47.0 -62.7 -36.5 22.4 79.9 -15.8 100 100 A A H <> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.2 5,-0.1 0.905 107.4 58.4 -65.3 -40.7 26.1 81.0 -15.7 101 101 A Q H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.818 108.9 45.2 -54.4 -35.3 25.1 84.1 -13.8 102 102 A N H X S+ 0 0 60 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.870 108.2 52.7 -84.3 -40.7 23.6 82.0 -11.1 103 103 A L H X S+ 0 0 45 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.867 113.2 50.1 -58.8 -30.7 26.4 79.5 -10.8 104 104 A L H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.950 112.1 42.5 -72.9 -51.5 28.5 82.7 -10.4 105 105 A L H >X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 3,-1.1 0.979 113.3 53.3 -59.6 -53.8 26.5 84.4 -7.7 106 106 A K H 3X S+ 0 0 65 -4,-2.3 4,-1.7 1,-0.3 9,-0.3 0.895 102.8 59.9 -44.3 -46.2 26.0 81.1 -5.8 107 107 A S H 3< S+ 0 0 7 -4,-1.7 7,-1.5 -5,-0.3 -1,-0.3 0.898 116.8 31.2 -50.6 -45.1 29.8 80.8 -6.0 108 108 A Y H << S+ 0 0 1 -4,-1.5 8,-2.8 -3,-1.1 -2,-0.2 0.927 136.1 19.3 -79.8 -46.0 30.1 84.1 -4.0 109 109 A F H < S+ 0 0 1 -4,-3.0 60,-1.7 6,-0.3 61,-0.3 0.731 99.2 88.2-103.7 -28.2 27.0 84.1 -1.8 110 110 A S S ><>S- 0 0 6 -4,-1.7 5,-1.2 -5,-0.4 3,-0.6 -0.136 77.9-117.6 -77.1 167.8 25.5 80.6 -1.4 111 111 A E T 3 5S+ 0 0 74 56,-0.4 -1,-0.1 1,-0.3 57,-0.1 0.751 122.3 58.9 -73.2 -29.2 26.2 77.8 1.0 112 112 A E T 3 5S+ 0 0 82 -87,-0.1 -86,-1.3 -84,-0.1 -1,-0.3 0.514 117.2 43.7 -65.6 -10.4 27.3 75.8 -2.1 113 113 A G T < 5S- 0 0 3 -3,-0.6 -5,-0.2 -88,-0.2 -6,-0.2 0.016 113.6 -75.0-112.4-141.8 29.7 78.7 -2.3 114 114 A I T 5 - 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