==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-98 1BH6 . COMPND 2 MOLECULE: SUBTILISIN DY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR S.ESCHENBURG,N.GENOV,K.S.WILSON,C.BETZEL . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.4 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 3 0 1 0 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 2 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 0 PARALLEL BRIDGES PER LADDER . 4 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 0 120 0, 0.0 2,-0.3 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 154.7 1.5 15.4 14.6 2 2 A Q - 0 0 46 74,-0.2 2,-0.4 76,-0.2 78,-0.2 -0.618 360.0-150.4 -88.5 132.2 5.1 14.1 14.0 3 3 A T - 0 0 68 76,-2.9 78,-0.4 -2,-0.3 75,-0.1 -0.868 5.7-146.9 -97.1 135.8 7.8 16.4 12.7 4 4 A V - 0 0 75 -2,-0.4 78,-0.1 76,-0.2 76,-0.1 -0.932 21.5-134.5-108.1 110.8 10.6 15.0 10.5 5 5 A P > - 0 0 13 0, 0.0 3,-1.6 0, 0.0 199,-0.1 -0.336 22.4-111.8 -62.4 147.5 13.8 17.0 11.2 6 6 A Y T 3> S+ 0 0 62 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.715 110.8 70.2 -57.5 -25.8 15.7 17.9 8.1 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 6,-0.3 0.822 89.5 63.3 -66.5 -27.1 18.6 15.6 8.9 8 8 A I H <4>S+ 0 0 2 -3,-1.6 5,-2.3 1,-0.2 6,-0.6 0.990 112.8 31.2 -62.7 -56.5 16.5 12.5 8.2 9 9 A P H >45S+ 0 0 56 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.877 113.2 65.8 -67.2 -33.6 15.9 13.2 4.5 10 10 A L H 3<5S+ 0 0 34 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.914 110.0 35.9 -58.9 -36.8 19.3 14.9 4.2 11 11 A I T 3<5S- 0 0 0 -4,-2.0 258,-2.6 -3,-0.3 259,-0.5 0.366 116.2-115.3 -97.0 6.6 21.1 11.6 4.9 12 12 A K T <>5S+ 0 0 71 -3,-1.3 4,-1.1 -4,-0.3 3,-0.3 0.730 72.2 138.4 66.8 27.6 18.5 9.6 2.9 13 13 A A H >< + 0 0 0 -5,-2.3 4,-2.5 -6,-0.3 5,-0.2 0.809 64.9 63.0 -72.2 -28.9 17.4 7.8 6.0 14 14 A D H > S+ 0 0 64 -6,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.867 99.5 53.7 -61.2 -36.7 13.7 8.2 4.9 15 15 A K H > S+ 0 0 85 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.887 110.7 45.8 -63.0 -42.2 14.4 6.1 1.8 16 16 A V H <>S+ 0 0 0 -4,-1.1 5,-1.7 2,-0.2 4,-0.4 0.887 110.7 51.6 -70.6 -39.5 15.8 3.3 3.8 17 17 A Q H ><5S+ 0 0 17 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.879 106.4 56.4 -61.8 -37.9 12.9 3.4 6.4 18 18 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 97.7 60.5 -65.7 -26.8 10.5 3.2 3.4 19 19 A Q T 3<5S- 0 0 82 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.628 128.4-104.7 -70.8 -10.3 12.2 -0.0 2.3 20 20 A G T < 5S+ 0 0 55 -3,-1.4 2,-0.7 -4,-0.4 -3,-0.2 0.530 82.3 128.2 99.7 9.0 11.0 -1.2 5.7 21 21 A Y < + 0 0 85 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.2 -0.908 16.6 153.3-103.6 112.9 14.4 -1.1 7.6 22 22 A K - 0 0 52 -2,-0.7 64,-2.8 62,-0.1 65,-0.4 0.191 69.0 -87.5-127.9 18.7 14.1 0.9 10.8 23 23 A G > + 0 0 0 209,-0.3 3,-1.6 208,-0.3 65,-0.3 0.503 64.8 166.4 90.8 7.6 16.8 -0.5 13.1 24 24 A A T 3 + 0 0 43 1,-0.2 -1,-0.3 63,-0.2 63,-0.2 -0.328 67.0 18.2 -60.2 143.8 14.8 -3.3 14.6 25 25 A N T 3 S+ 0 0 147 61,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.485 96.2 119.6 76.0 3.2 16.9 -5.9 16.6 26 26 A V < - 0 0 5 -3,-1.6 62,-2.8 60,-0.2 2,-0.7 -0.911 55.4-146.1-105.9 128.9 19.9 -3.4 16.8 27 27 A K E -a 88 0A 77 -2,-0.6 92,-2.3 60,-0.2 93,-2.1 -0.830 17.1-171.3 -97.2 118.4 21.0 -2.5 20.3 28 28 A V E -ab 89 120A 0 60,-2.7 62,-2.5 -2,-0.7 2,-0.5 -0.949 8.5-155.9-110.7 127.3 22.2 1.1 20.5 29 29 A G E -ab 90 121A 0 91,-3.0 93,-2.8 -2,-0.5 2,-0.7 -0.806 3.9-155.1-106.7 131.1 24.0 2.5 23.6 30 30 A I E -ab 91 122A 1 60,-2.7 62,-2.7 -2,-0.5 2,-0.8 -0.937 7.8-162.2-102.4 108.8 23.9 6.2 24.1 31 31 A I E +ab 92 123A 0 91,-2.8 93,-0.6 -2,-0.7 2,-0.2 -0.827 51.6 86.0 -98.6 105.7 27.0 7.1 26.2 32 32 A D E S-a 93 0A 0 60,-2.0 62,-2.8 -2,-0.8 63,-1.5 -0.747 95.8 -34.2-167.1-147.8 26.1 10.6 27.5 33 33 A T S S- 0 0 1 1,-0.3 27,-0.4 -2,-0.2 28,-0.3 0.208 96.5 -91.2 -83.6 11.4 24.2 12.4 30.3 34 34 A G - 0 0 0 58,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.496 41.2 -93.6 106.0-177.4 21.5 9.7 30.5 35 35 A I - 0 0 0 21,-1.7 2,-1.4 23,-0.4 3,-0.1 -0.989 25.6-125.1-134.8 134.2 18.2 9.6 28.6 36 36 A A > - 0 0 5 -2,-0.4 3,-2.1 1,-0.2 22,-0.2 -0.678 26.9-172.9 -78.0 94.0 14.9 11.0 30.1 37 37 A S T 3 S+ 0 0 36 20,-1.5 5,-0.2 -2,-1.4 7,-0.2 0.782 76.5 76.5 -58.3 -26.7 12.9 7.7 29.7 38 38 A S T 3 + 0 0 82 19,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.641 69.7 113.7 -53.6 -26.5 9.8 9.7 30.8 39 39 A H X - 0 0 4 -3,-2.1 3,-1.4 1,-0.2 172,-0.2 -0.351 66.8-143.4 -58.8 128.2 9.8 11.2 27.2 40 40 A T T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -2,-0.1 171,-0.1 0.752 97.5 54.0 -64.1 -22.8 6.8 10.0 25.3 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.6 35,-0.0 2,-0.4 0.284 102.1 65.6 -97.9 14.6 8.7 9.8 22.1 42 42 A L < - 0 0 10 -3,-1.4 2,-0.5 31,-0.2 31,-0.1 -0.985 58.5-158.5-134.9 148.4 11.5 7.5 23.3 43 43 A K - 0 0 142 -2,-0.4 46,-0.8 29,-0.3 2,-0.5 -0.973 11.6-168.2-128.4 108.4 11.6 3.9 24.6 44 44 A V E -c 89 0A 31 -2,-0.5 46,-0.2 -7,-0.2 3,-0.1 -0.888 6.0-177.8 -97.0 122.5 14.6 3.1 26.7 45 45 A V E - 0 0 64 44,-2.7 2,-0.3 -2,-0.5 45,-0.2 0.624 59.1 -29.2 -99.3 -12.8 15.0 -0.7 27.3 46 46 A G E +c 90 0A 15 43,-1.0 45,-2.2 10,-0.1 2,-0.3 -0.950 61.4 148.2-177.7-174.4 18.0 -0.8 29.6 47 47 A G E -c 91 0A 12 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.948 31.9-110.7 155.1-172.5 21.2 0.9 30.6 48 48 A A E -c 92 0A 12 43,-1.8 45,-2.8 -2,-0.3 2,-0.5 -0.982 14.1-139.2-154.9 148.6 23.6 1.6 33.3 49 49 A S E +c 93 0A 36 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.973 16.2 177.3-114.8 128.5 24.7 4.6 35.3 50 50 A F + 0 0 71 43,-3.5 2,-0.5 -2,-0.5 44,-0.1 0.027 61.3 94.7-111.9 22.7 28.4 5.3 36.3 51 51 A V S > S- 0 0 21 3,-0.4 3,-1.8 42,-0.2 44,-0.1 -0.958 83.3-118.3-119.3 116.5 27.5 8.6 37.9 52 52 A S T 3 S+ 0 0 127 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.356 92.8 9.5 -62.0 133.5 26.9 8.3 41.6 53 53 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.197 109.2 92.2 85.1 -13.5 23.5 9.2 42.8 54 54 A E < - 0 0 45 -3,-1.8 -3,-0.4 39,-0.1 2,-0.2 -0.908 64.9-143.8-114.2 138.6 22.0 9.5 39.3 55 55 A S > - 0 0 52 -2,-0.4 3,-0.7 -3,-0.1 -5,-0.1 -0.510 24.8-114.5 -92.6 171.5 20.2 6.6 37.6 56 57 A Y T 3 S+ 0 0 82 1,-0.2 -21,-1.7 -2,-0.2 -8,-0.1 0.684 105.5 65.4 -82.5 -16.7 20.5 6.1 33.9 57 58 A N T 3 S+ 0 0 76 -23,-0.2 -20,-1.5 -21,-0.1 -19,-0.5 0.193 93.2 72.2 -92.6 16.6 16.9 6.7 32.9 58 59 A T < - 0 0 65 -3,-0.7 -23,-0.4 -22,-0.2 2,-0.3 -0.939 59.5-168.0-124.6 156.3 16.9 10.3 34.0 59 60 A D + 0 0 10 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.826 13.7 172.1-146.4 106.0 18.7 13.2 32.3 60 61 A G S S+ 0 0 61 -27,-0.4 -26,-0.1 -2,-0.3 -1,-0.1 0.377 83.4 49.6 -93.7 5.1 19.1 16.5 34.0 61 62 A N S S- 0 0 54 -28,-0.3 -1,-0.1 34,-0.1 36,-0.1 0.777 91.3-142.0-102.9 -54.6 21.3 18.0 31.3 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.0 -28,-0.1 5,-0.2 0.102 72.8 102.7 113.2 -23.2 19.3 17.2 28.2 63 64 A H H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 82.7 45.0 -62.7 -47.7 22.2 16.3 25.9 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.836 113.0 51.0 -66.0 -34.6 21.8 12.6 26.1 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 142,-0.3 0.895 111.7 48.1 -68.7 -38.0 18.0 12.8 25.6 66 67 A H H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 141,-0.3 0.944 113.5 46.6 -65.7 -49.2 18.5 15.0 22.5 67 68 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.911 111.4 53.1 -61.6 -44.4 21.2 12.7 21.0 68 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.870 104.9 53.6 -59.0 -44.0 18.9 9.7 21.8 69 70 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.818 104.3 56.4 -65.0 -32.6 15.9 11.2 19.9 70 71 A T H < S+ 0 0 6 -4,-1.7 13,-2.8 2,-0.2 -1,-0.2 0.918 116.0 36.7 -69.2 -36.4 18.0 11.8 16.7 71 72 A V H < S+ 0 0 0 -4,-1.6 13,-3.3 11,-0.2 -2,-0.2 0.940 140.2 3.5 -72.3 -45.4 18.9 8.0 16.7 72 73 A A H < + 0 0 4 -4,-2.6 -29,-0.3 10,-0.2 -3,-0.2 0.187 64.5 152.4-140.5 23.9 15.5 6.7 17.8 73 74 A A < - 0 0 0 -4,-2.4 9,-2.7 1,-0.1 -31,-0.2 -0.374 60.4 -99.8 -58.6 136.6 12.5 9.0 18.5 74 75 A L - 0 0 46 -33,-2.6 2,-0.9 7,-0.2 4,-0.2 -0.226 22.5-122.0 -61.2 147.6 9.6 6.7 17.8 75 76 A D S S+ 0 0 69 10,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.783 70.3 106.2 -92.6 105.6 7.7 6.8 14.6 76 77 A N S S- 0 0 57 -2,-0.9 -74,-0.2 2,-0.4 -35,-0.0 -0.568 87.4 -67.8-153.5-144.9 4.1 7.6 15.7 77 78 A T S S+ 0 0 118 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.048 104.2 62.5-115.4 28.7 1.9 10.7 15.5 78 79 A T S S- 0 0 56 -4,-0.2 -2,-0.4 2,-0.2 -76,-0.2 -0.941 91.1 -4.3-144.4 163.4 3.8 12.9 17.9 79 80 A G S S- 0 0 8 -78,-0.3 -76,-2.9 -2,-0.3 2,-0.2 -0.242 96.7 -41.5 60.4-127.4 7.2 14.6 18.4 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -6,-0.1 -4,-0.3 -0.539 53.7-112.2-125.4-171.3 10.0 13.9 15.9 81 82 A L - 0 0 12 -78,-0.4 -7,-0.2 -2,-0.2 -73,-0.1 -1.000 25.1-136.0-128.9 133.4 11.2 10.8 14.0 82 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.335 24.6-113.3 -83.0 170.8 14.6 9.2 14.6 83 84 A V S S+ 0 0 0 -13,-2.8 -11,-0.2 1,-0.3 -12,-0.2 0.873 116.9 18.9 -63.5 -36.5 17.0 7.9 12.0 84 85 A A S > S+ 0 0 0 -13,-3.3 3,-1.7 -14,-0.2 -1,-0.3 -0.710 75.3 178.0-139.9 77.4 16.3 4.3 13.3 85 86 A P T 3 S+ 0 0 2 0, 0.0 -10,-0.2 0, 0.0 -62,-0.2 0.625 73.7 54.2 -62.9 -19.7 13.1 4.4 15.2 86 87 A N T 3 S+ 0 0 79 -64,-2.8 -61,-0.5 -12,-0.1 -60,-0.2 0.292 77.1 122.3-102.7 11.4 12.9 0.7 16.1 87 88 A V S < S- 0 0 14 -3,-1.7 2,-0.7 -65,-0.4 -60,-0.2 -0.279 70.6-112.1 -65.3 161.7 16.3 0.2 17.7 88 89 A S E -a 27 0A 37 -62,-2.8 -60,-2.7 -65,-0.3 2,-0.4 -0.897 41.0-147.7 -93.2 117.7 16.6 -1.1 21.3 89 90 A L E -ac 28 44A 1 -46,-0.8 -44,-2.7 -2,-0.7 -43,-1.0 -0.720 15.5-167.5 -96.6 131.2 17.9 2.0 23.1 90 91 A Y E -ac 29 46A 41 -62,-2.5 -60,-2.7 -2,-0.4 2,-0.6 -0.965 13.7-144.7-117.3 132.1 20.2 1.8 26.1 91 92 A A E -ac 30 47A 0 -45,-2.2 -43,-1.8 -2,-0.4 2,-0.7 -0.856 16.1-175.0 -93.9 111.1 21.0 4.8 28.4 92 93 A I E -ac 31 48A 0 -62,-2.7 -60,-2.0 -2,-0.6 2,-0.7 -0.905 12.9-156.4-111.2 101.4 24.7 4.6 29.6 93 94 A K E +ac 32 49A 0 -45,-2.8 -43,-3.5 -2,-0.7 -60,-0.2 -0.666 36.9 142.9 -89.2 115.8 25.0 7.5 31.9 94 95 A V + 0 0 0 -62,-2.8 8,-0.4 -2,-0.7 2,-0.4 0.475 58.9 62.7-123.9 -11.7 28.6 8.6 32.3 95 96 A L S S- 0 0 17 -63,-1.5 6,-0.2 6,-0.1 -1,-0.1 -0.926 77.5-131.0-115.7 141.6 28.3 12.4 32.6 96 97 A N > - 0 0 50 4,-3.0 3,-2.6 -2,-0.4 4,-0.1 -0.259 39.3 -87.6 -82.2 179.7 26.4 14.1 35.4 97 98 A S T 3 S+ 0 0 50 1,-0.3 -1,-0.1 2,-0.2 -64,-0.1 0.760 127.2 58.4 -63.6 -18.0 23.8 16.8 34.9 98 99 A S T 3 S- 0 0 100 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.387 121.5-107.3 -86.2 8.6 26.4 19.6 34.8 99 100 A G S < S+ 0 0 40 -3,-2.6 2,-0.5 1,-0.2 -2,-0.2 0.823 77.5 131.3 74.5 25.6 28.0 17.8 31.8 100 101 A S + 0 0 73 -4,-0.1 -4,-3.0 -67,-0.0 2,-0.3 -0.964 24.9 163.8-116.0 139.5 31.1 16.6 33.8 101 102 A G - 0 0 42 -2,-0.5 2,-0.2 -6,-0.2 -6,-0.1 -0.975 29.6-123.2-148.1 159.7 32.4 13.1 33.7 102 103 A S > - 0 0 60 -8,-0.4 4,-1.8 -2,-0.3 5,-0.2 -0.611 25.9-117.5 -96.5 158.8 35.6 11.2 34.7 103 104 A Y H > S+ 0 0 111 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.863 117.2 56.0 -63.8 -36.0 37.7 9.0 32.4 104 105 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 104.5 49.7 -67.6 -36.1 36.9 6.2 34.6 105 106 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 113.1 49.2 -58.7 -46.0 33.1 6.6 34.2 106 107 A I H X S+ 0 0 22 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.923 110.4 48.2 -63.5 -44.1 33.5 6.7 30.5 107 108 A V H X S+ 0 0 16 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.911 112.6 49.1 -63.8 -39.9 35.7 3.7 30.3 108 109 A S H X S+ 0 0 44 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.907 108.5 53.7 -68.4 -36.0 33.2 1.7 32.5 109 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.914 112.2 44.7 -61.8 -41.5 30.3 2.9 30.3 110 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.937 113.5 49.9 -67.7 -43.2 32.1 1.5 27.1 111 112 A E H X S+ 0 0 66 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.880 107.3 54.9 -62.4 -37.3 33.1 -1.7 28.9 112 113 A W H X S+ 0 0 52 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.922 108.6 47.9 -59.1 -48.1 29.5 -2.2 30.0 113 114 A A H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 4,-0.2 0.912 113.4 48.2 -60.1 -39.4 28.3 -1.9 26.4 114 115 A T H ><5S+ 0 0 22 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.939 113.4 46.7 -66.9 -46.0 31.0 -4.4 25.3 115 116 A Q H 3<5S+ 0 0 149 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 112.3 51.5 -68.1 -25.6 30.1 -6.9 28.0 116 117 A N T 3<5S- 0 0 79 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.367 112.0-116.0 -94.3 7.2 26.4 -6.6 27.3 117 118 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 -4,-0.2 -90,-0.2 0.797 48.0 172.1 67.6 33.4 26.6 -7.3 23.6 118 119 A L < - 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