==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 25-SEP-97 3VSB . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG, TYPE VIII; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR V.S.STOLL,B.T.EGER,R.C.HYNES,V.MARTICHONOK,J.B.JONES,E.F.PAI . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.4 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 1 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 3 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 0 107 0, 0.0 2,-0.5 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 -67.4 41.8 10.6 33.4 2 2 A Q - 0 0 41 76,-0.2 2,-0.3 74,-0.1 78,-0.2 -0.857 360.0-145.5-105.0 128.9 38.5 8.7 34.0 3 3 A T - 0 0 72 76,-3.4 78,-0.2 -2,-0.5 75,-0.1 -0.691 3.5-150.6 -88.8 143.1 35.2 10.6 33.6 4 4 A V - 0 0 73 -2,-0.3 78,-0.1 76,-0.2 76,-0.1 -0.939 21.9-134.0-115.9 101.4 32.3 9.7 35.9 5 5 A P > - 0 0 15 0, 0.0 3,-1.2 0, 0.0 199,-0.1 -0.192 23.4-108.0 -52.4 150.4 29.1 10.4 33.9 6 6 A Y T 3> S+ 0 0 62 1,-0.3 4,-2.0 197,-0.2 5,-0.1 0.775 114.0 65.4 -53.6 -33.1 26.4 12.3 35.9 7 7 A G H 3> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 6,-0.3 0.871 89.4 65.5 -59.7 -39.3 24.2 9.1 36.2 8 8 A I H <4>S+ 0 0 2 -3,-1.2 5,-1.4 1,-0.2 6,-0.9 0.945 113.9 29.2 -54.0 -56.1 26.7 7.3 38.4 9 9 A P H >45S+ 0 0 55 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.853 111.5 70.7 -74.6 -24.5 26.4 9.7 41.3 10 10 A L H 3<5S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.864 106.5 37.2 -55.5 -37.5 22.8 10.5 40.4 11 11 A I T 3<5S- 0 0 0 -4,-2.0 258,-2.4 -3,-0.2 259,-0.4 0.126 115.8-112.0-101.9 20.2 21.6 7.0 41.5 12 12 A K T X>5S+ 0 0 79 -3,-2.1 4,-1.1 256,-0.2 3,-1.0 0.630 75.6 136.5 59.1 17.0 24.0 6.8 44.5 13 13 A A H 3>< + 0 0 0 -5,-1.4 4,-2.0 -6,-0.3 5,-0.2 0.832 63.3 62.1 -61.4 -33.6 26.0 4.1 42.7 14 14 A D H 3> S+ 0 0 66 -6,-0.9 4,-0.9 1,-0.2 -1,-0.3 0.766 98.3 56.7 -66.4 -23.3 29.3 5.7 43.7 15 15 A K H <> S+ 0 0 93 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.916 108.0 47.1 -72.9 -40.0 28.4 5.2 47.4 16 16 A V H X>S+ 0 0 0 -4,-1.1 5,-2.3 1,-0.2 4,-0.6 0.866 107.9 53.8 -68.4 -41.0 28.0 1.4 46.8 17 17 A Q H <5S+ 0 0 18 -4,-2.0 3,-0.3 3,-0.2 -1,-0.2 0.779 103.5 61.4 -63.0 -28.4 31.2 1.1 44.9 18 18 A A H <5S+ 0 0 82 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.958 99.1 52.0 -62.5 -50.8 32.8 2.8 47.9 19 19 A Q H <5S- 0 0 101 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.636 129.2 -98.7 -60.8 -16.7 31.8 -0.1 50.3 20 20 A G T <5S+ 0 0 51 -4,-0.6 2,-0.8 -3,-0.3 -3,-0.2 0.597 81.6 135.5 106.3 16.2 33.4 -2.4 47.8 21 21 A F < + 0 0 56 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.871 8.7 146.6-102.3 107.4 30.4 -3.5 46.0 22 22 A K - 0 0 48 -2,-0.8 64,-2.2 62,-0.1 65,-0.3 0.307 69.7-100.9-118.4 4.8 31.1 -3.4 42.3 23 23 A G > - 0 0 0 209,-0.2 3,-1.7 1,-0.2 65,-0.3 0.748 54.1-179.4 82.5 23.7 29.1 -6.4 41.0 24 24 A A T 3 + 0 0 61 1,-0.3 63,-0.2 63,-0.1 -1,-0.2 -0.334 67.4 11.0 -61.0 134.3 31.9 -8.8 40.8 25 25 A N T 3 S+ 0 0 125 61,-1.0 2,-0.5 1,-0.3 -1,-0.3 0.570 91.6 131.1 75.4 9.1 30.9 -12.3 39.5 26 26 A V < - 0 0 8 -3,-1.7 62,-3.6 60,-0.3 2,-0.5 -0.821 53.2-138.8 -95.8 131.8 27.4 -11.1 38.5 27 27 A K E +a 88 0A 53 -2,-0.5 92,-2.1 90,-0.2 93,-1.5 -0.863 25.6 177.9 -90.9 124.5 26.6 -12.3 35.0 28 28 A V E -ab 89 120A 0 60,-2.4 62,-2.6 -2,-0.5 2,-0.4 -0.996 14.6-155.8-132.6 128.7 24.8 -9.6 32.9 29 29 A A E -ab 90 121A 0 91,-2.2 93,-2.4 -2,-0.4 2,-0.6 -0.847 5.2-153.0-104.1 134.7 23.7 -10.0 29.3 30 30 A V E -ab 91 122A 2 60,-3.1 62,-2.4 -2,-0.4 2,-1.0 -0.965 6.2-158.4-106.0 117.0 23.2 -6.9 27.2 31 31 A L E +ab 92 123A 0 91,-2.4 93,-0.6 -2,-0.6 2,-0.2 -0.845 51.4 105.6 -95.7 92.8 20.7 -7.8 24.5 32 32 A D E S-a 93 0A 1 60,-1.2 62,-2.2 -2,-1.0 63,-1.2 -0.645 88.7 -53.8-146.1-159.0 21.6 -5.1 22.0 33 33 A T S S- 0 0 0 1,-0.2 27,-0.6 60,-0.2 28,-0.3 0.270 93.8 -86.9 -74.9 10.6 23.4 -4.5 18.6 34 34 A G - 0 0 1 58,-0.3 2,-0.3 25,-0.2 -1,-0.2 -0.585 44.4 -95.8 109.2-178.2 26.6 -6.2 19.9 35 35 A I - 0 0 1 21,-1.8 2,-2.4 -2,-0.2 3,-0.1 -0.964 20.5-121.9-145.3 128.7 29.6 -4.8 21.8 36 36 A Q > - 0 0 19 -2,-0.3 3,-3.2 1,-0.2 22,-0.2 -0.440 33.8-173.3 -67.1 81.4 33.0 -3.6 20.6 37 37 A A T 3 S+ 0 0 32 -2,-2.4 7,-0.3 20,-0.8 -1,-0.2 0.817 77.6 62.5 -47.8 -35.9 34.8 -6.2 22.8 38 38 A S T 3 S+ 0 0 90 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.464 71.8 119.0 -72.1 -5.8 38.1 -4.6 21.9 39 39 A H X - 0 0 2 -3,-3.2 3,-1.1 1,-0.2 168,-0.0 -0.471 65.5-138.7 -60.6 133.3 37.1 -1.3 23.5 40 40 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 34,-0.1 0.836 99.5 53.5 -66.8 -32.9 39.7 -0.8 26.2 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.8 35,-0.0 2,-0.3 0.368 107.4 64.1 -83.5 8.1 37.3 0.5 28.8 42 42 A L < - 0 0 8 -3,-1.1 2,-0.3 31,-0.2 31,-0.1 -0.920 59.2-163.8-132.0 152.8 35.1 -2.6 28.3 43 43 A N - 0 0 97 -2,-0.3 46,-0.7 29,-0.3 2,-0.5 -0.857 5.3-166.2-139.8 99.0 35.5 -6.3 28.9 44 44 A V E -c 89 0A 20 -2,-0.3 46,-0.2 -7,-0.3 3,-0.1 -0.782 1.9-168.1 -85.7 124.7 33.1 -8.7 27.2 45 45 A V E - 0 0 80 44,-3.2 2,-0.3 -2,-0.5 45,-0.2 0.596 58.3 -65.7 -87.9 -15.7 33.5 -12.1 28.8 46 46 A G E +c 90 0A 9 43,-0.9 45,-2.8 10,-0.1 2,-0.3 -0.985 58.6 153.8 159.7-166.8 31.4 -13.8 26.1 47 47 A G E -c 91 0A 20 -2,-0.3 2,-0.3 43,-0.2 45,-0.2 -0.991 32.9 -94.0 148.7-153.6 27.9 -14.1 24.5 48 48 A A E -c 92 0A 18 43,-1.7 45,-1.9 -2,-0.3 2,-0.5 -0.985 16.3-130.2-162.0 156.6 26.2 -15.0 21.2 49 49 A S E +c 93 0A 37 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.981 15.3 178.5-120.3 131.7 24.7 -13.5 18.0 50 50 A F + 0 0 73 43,-2.8 2,-0.4 -2,-0.5 44,-0.1 -0.043 62.5 94.2-114.4 25.2 21.3 -14.3 16.7 51 51 A V S > S- 0 0 29 3,-0.4 3,-0.8 42,-0.2 44,-0.1 -0.964 80.2-114.7-119.9 135.6 21.8 -11.9 13.8 52 52 A A T 3 S+ 0 0 93 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.0 -0.260 91.0 14.4 -67.5 154.9 23.1 -13.1 10.5 53 53 A G T 3 S+ 0 0 92 1,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.298 109.8 84.3 66.9 -10.5 26.5 -12.0 9.1 54 54 A E < - 0 0 46 -3,-0.8 -3,-0.4 39,-0.1 39,-0.1 -0.951 64.7-137.2-140.4 132.3 27.8 -10.6 12.4 55 55 A A > - 0 0 50 -2,-0.4 3,-0.6 1,-0.1 -5,-0.1 -0.112 29.0-117.6 -64.5 169.0 29.5 -11.8 15.5 56 57 A Y T 3 S+ 0 0 65 1,-0.2 -21,-1.8 -22,-0.1 -1,-0.1 0.699 106.4 68.0 -82.8 -23.8 28.5 -10.6 18.9 57 58 A N T 3 S+ 0 0 67 -23,-0.2 -20,-0.8 -21,-0.1 -19,-0.4 0.171 92.2 69.4 -86.7 23.4 31.9 -9.0 19.7 58 59 A T < - 0 0 69 -3,-0.6 2,-0.6 -22,-0.2 -23,-0.2 -0.989 65.0-153.5-137.5 142.4 31.5 -6.3 17.1 59 60 A D + 0 0 18 -2,-0.3 -25,-0.2 -25,-0.2 37,-0.1 -0.934 12.7 178.0-118.9 107.8 29.1 -3.3 17.1 60 61 A G S S+ 0 0 54 -27,-0.6 -1,-0.1 -2,-0.6 -26,-0.1 0.659 82.8 35.6 -84.6 -7.7 28.1 -2.0 13.7 61 62 A N S S- 0 0 56 -28,-0.3 -1,-0.1 35,-0.0 -27,-0.1 0.756 91.9-127.5-113.7 -36.6 25.8 0.6 15.2 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-1.9 -28,-0.0 5,-0.2 -0.077 83.4 96.8 109.2 -32.2 27.1 2.1 18.5 63 64 A H H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.948 83.1 48.6 -55.3 -56.6 24.0 1.5 20.6 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.811 111.4 49.1 -56.0 -37.7 25.1 -1.8 22.2 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 142,-0.3 0.850 110.9 50.6 -72.3 -35.6 28.5 -0.5 23.1 66 67 A H H X S+ 0 0 0 -4,-1.9 4,-1.5 -3,-0.3 141,-0.3 0.945 114.3 43.6 -67.8 -46.5 27.0 2.7 24.7 67 68 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 3,-0.4 0.946 113.2 50.2 -64.3 -49.3 24.5 0.6 26.8 68 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.882 108.0 57.8 -57.2 -34.0 27.1 -2.0 27.8 69 70 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.883 101.7 51.8 -63.6 -42.2 29.3 0.9 28.8 70 71 A T H < S+ 0 0 5 -4,-1.5 13,-2.7 -3,-0.4 14,-0.2 0.870 112.4 47.9 -64.2 -36.2 26.8 2.3 31.2 71 72 A V H < S- 0 0 0 -4,-1.7 13,-3.4 11,-0.2 -2,-0.2 0.957 135.0 -6.5 -70.7 -47.1 26.5 -1.1 32.9 72 73 A A H < + 0 0 4 -4,-2.4 -29,-0.3 11,-0.2 2,-0.2 -0.077 65.0 161.3-150.3 47.9 30.2 -2.0 33.3 73 74 A A < - 0 0 0 -4,-1.7 9,-1.9 1,-0.1 -31,-0.2 -0.501 59.0 -87.8 -70.0 135.4 32.9 0.2 31.8 74 75 A L - 0 0 52 -33,-2.8 2,-2.0 7,-0.2 4,-0.3 -0.180 26.9-127.3 -50.7 131.7 36.2 -0.6 33.6 75 76 A D S S+ 0 0 82 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.640 71.4 116.4 -82.6 77.9 37.0 1.3 36.8 76 77 A N S S- 0 0 51 -2,-2.0 -74,-0.1 4,-0.4 -35,-0.0 -0.365 82.7 -87.5-124.0-151.2 40.4 2.3 35.5 77 78 A T S S+ 0 0 105 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.018 99.5 73.3-120.7 27.1 42.0 5.6 34.7 78 79 A T S S- 0 0 61 -4,-0.3 -2,-0.4 2,-0.2 -76,-0.2 -0.957 96.2 -18.8-138.4 150.9 40.8 5.9 31.1 79 80 A G S S- 0 0 9 -78,-0.3 -76,-3.4 -2,-0.3 2,-0.1 -0.206 100.3 -24.6 59.5-130.8 37.4 6.7 29.6 80 81 A V - 0 0 1 -78,-0.2 -4,-0.4 -76,-0.1 2,-0.4 -0.409 50.8-123.4-109.4-174.5 34.3 6.3 31.7 81 82 A L - 0 0 14 -78,-0.2 2,-0.2 -2,-0.1 -7,-0.2 -0.986 24.9-143.6-131.9 135.3 33.1 4.4 34.8 82 83 A G - 0 0 0 -9,-1.9 -11,-0.2 -2,-0.4 -12,-0.2 -0.599 25.4-108.1-100.8 167.2 30.1 2.1 34.7 83 84 A V S S+ 0 0 0 -13,-2.7 -11,-0.2 1,-0.3 -12,-0.2 0.908 117.1 23.0 -57.5 -48.2 27.4 1.4 37.3 84 85 A A S > S+ 0 0 0 -13,-3.4 3,-1.7 -14,-0.2 -1,-0.3 -0.675 73.1 178.2-122.9 81.4 28.8 -2.1 38.1 85 86 A P T 3 S+ 0 0 10 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.665 77.2 50.6 -56.9 -23.1 32.5 -2.1 37.0 86 87 A S T 3 S+ 0 0 53 -64,-2.2 -61,-1.0 -12,-0.1 -60,-0.3 0.155 80.1 127.7-103.5 17.3 33.2 -5.7 38.1 87 88 A V < - 0 0 12 -3,-1.7 2,-0.9 -65,-0.3 -60,-0.2 -0.378 67.9-117.3 -73.5 147.2 30.3 -7.4 36.3 88 89 A S E -a 27 0A 22 -62,-3.6 -60,-2.4 -65,-0.3 2,-0.4 -0.850 41.3-146.0 -84.4 111.5 30.9 -10.4 34.0 89 90 A L E -ac 28 44A 1 -2,-0.9 -44,-3.2 -46,-0.7 -43,-0.9 -0.705 15.7-165.4 -90.5 132.7 29.6 -8.8 30.7 90 91 A Y E -ac 29 46A 47 -62,-2.6 -60,-3.1 -2,-0.4 2,-0.7 -0.958 10.6-148.9-122.1 124.2 27.9 -10.7 28.0 91 92 A A E +ac 30 47A 0 -45,-2.8 -43,-1.7 -2,-0.5 2,-0.7 -0.788 17.6 176.4 -92.2 112.2 27.2 -9.6 24.5 92 93 A V E -ac 31 48A 0 -62,-2.4 -60,-1.2 -2,-0.7 2,-0.7 -0.892 17.0-156.1-118.0 91.3 24.1 -11.0 23.1 93 94 A K E +ac 32 49A 0 -45,-1.9 -43,-2.8 -2,-0.7 -60,-0.2 -0.652 36.2 145.3 -73.0 114.3 23.6 -9.5 19.7 94 95 A V + 0 0 1 -62,-2.2 2,-0.4 -2,-0.7 -61,-0.2 0.281 58.6 65.6-129.6 2.6 19.9 -9.6 18.8 95 96 A L S S- 0 0 7 -63,-1.2 6,-0.2 6,-0.1 -1,-0.1 -0.993 79.1-127.5-131.3 132.0 19.8 -6.3 16.8 96 97 A N > - 0 0 50 4,-2.6 3,-3.3 -2,-0.4 4,-0.2 -0.225 42.1 -86.5 -70.5 171.3 21.5 -5.6 13.5 97 98 A S T 3 S+ 0 0 49 1,-0.3 -1,-0.1 2,-0.1 -34,-0.1 0.460 128.6 62.8 -58.1 -4.2 23.8 -2.6 13.0 98 99 A S T 3 S- 0 0 94 2,-0.3 -1,-0.3 -37,-0.0 3,-0.1 0.374 117.3-113.2-100.6 0.6 20.7 -0.7 12.0 99 100 A G S < S+ 0 0 20 -3,-3.3 2,-0.3 1,-0.3 -2,-0.1 0.553 82.3 110.8 79.9 9.8 19.3 -1.1 15.5 100 101 A S + 0 0 78 -4,-0.2 -4,-2.6 25,-0.1 -2,-0.3 -0.874 35.8 162.6-118.1 146.8 16.4 -3.4 14.3 101 102 A G - 0 0 34 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.979 34.9 -95.2-156.8 159.7 15.9 -7.1 14.9 102 103 A S > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.374 28.7-116.6 -81.3 158.9 13.2 -9.8 14.8 103 104 A Y H > S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 119.2 48.4 -55.7 -47.2 10.9 -11.1 17.6 104 105 A S H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.920 107.6 52.4 -60.6 -44.7 12.5 -14.5 17.0 105 106 A G H > S+ 0 0 8 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.886 115.5 43.7 -60.2 -35.7 16.1 -13.2 17.1 106 107 A I H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.930 110.6 52.2 -75.1 -45.9 15.3 -11.5 20.3 107 108 A V H X S+ 0 0 16 -4,-3.0 4,-2.9 1,-0.3 -2,-0.2 0.925 109.9 50.6 -57.4 -45.2 13.4 -14.4 21.9 108 109 A S H X S+ 0 0 36 -4,-2.9 4,-2.1 1,-0.2 -1,-0.3 0.889 108.4 54.0 -58.5 -40.6 16.4 -16.6 21.1 109 110 A G H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.930 111.0 43.2 -58.1 -50.3 18.6 -14.0 22.8 110 111 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.893 111.8 56.1 -61.4 -42.4 16.5 -14.1 26.0 111 112 A E H X S+ 0 0 113 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.847 107.8 48.6 -57.8 -41.3 16.4 -17.9 25.8 112 113 A W H X S+ 0 0 50 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.876 107.7 54.0 -68.1 -42.8 20.2 -18.0 25.7 113 114 A A H <>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 -2,-0.2 0.937 111.9 43.2 -57.7 -51.3 20.7 -15.7 28.7 114 115 A T H ><5S+ 0 0 17 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.912 116.9 46.2 -60.8 -49.7 18.5 -17.8 31.0 115 116 A T H 3<5S+ 0 0 105 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.6 50.5 -65.1 -34.1 20.0 -21.1 29.8 116 117 A N T 3<5S- 0 0 83 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.303 118.1-109.3 -88.9 9.9 23.5 -19.6 30.2 117 118 A G T < 5 + 0 0 37 -3,-1.2 -90,-0.2 1,-0.2 -3,-0.2 0.691 50.7 169.0 77.8 23.1 22.9 -18.3 33.7 118 119 A M < - 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