==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/METAL BINDING PROTEIN 26-APR-07 2POM . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.C.LIN . 355 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 1 0 1 0 1 0 1 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 0 0 1 4 2 0 0 1 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 1 0 0 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 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 16 A S > 0 0 104 0, 0.0 3,-1.6 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 27.3 -18.4 101.3 0.8 2 17 A W G > + 0 0 90 1,-0.3 3,-1.2 2,-0.1 4,-0.1 0.645 360.0 77.3 -68.9 -13.6 -21.9 99.7 1.0 3 18 A T G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.646 72.5 77.1 -70.1 -17.4 -22.7 103.0 2.8 4 19 A D G < S+ 0 0 126 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.460 92.0 53.8 -73.5 0.1 -22.9 104.7 -0.6 5 20 A D G < S+ 0 0 133 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.373 86.4 108.9-110.3 -3.8 -26.3 103.1 -1.0 6 21 A L S < S- 0 0 32 -3,-1.5 2,-0.2 1,-0.1 37,-0.1 -0.543 81.9-102.5 -77.9 137.9 -27.5 104.5 2.3 7 22 A P - 0 0 70 0, 0.0 35,-2.2 0, 0.0 2,-0.2 -0.405 36.6-134.5 -61.5 126.9 -30.1 107.3 2.2 8 23 A L B -A 41 0A 113 33,-0.2 2,-0.4 -2,-0.2 33,-0.2 -0.547 22.7-108.4 -82.1 149.5 -28.4 110.7 3.0 9 24 A C > - 0 0 2 31,-1.4 3,-0.6 -2,-0.2 -1,-0.1 -0.663 21.0-160.4 -81.0 130.7 -30.1 113.0 5.5 10 25 A H T 3 S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.512 84.3 66.3 -88.7 -5.5 -31.7 116.1 3.9 11 26 A L T 3 S+ 0 0 61 297,-0.0 338,-2.8 337,-0.0 2,-0.3 0.141 96.3 65.5-101.9 20.6 -31.8 118.0 7.2 12 27 A S E < -G 348 0B 4 -3,-0.6 2,-0.3 336,-0.2 336,-0.3 -0.963 56.6-162.6-141.9 160.8 -28.1 118.3 7.6 13 28 A G E -G 347 0B 0 334,-3.2 334,-3.1 -2,-0.3 2,-0.4 -0.964 5.2-153.6-141.8 156.3 -25.0 119.8 6.0 14 29 A V E -G 346 0B 15 -2,-0.3 2,-0.4 332,-0.2 299,-0.2 -0.986 7.7-176.0-133.5 139.4 -21.3 119.4 6.1 15 30 A G E +G 345 0B 0 330,-3.0 330,-2.7 -2,-0.4 2,-0.3 -0.961 16.9 164.0-128.6 147.8 -18.5 121.8 5.5 16 31 A S E -G 344 0B 41 -2,-0.4 2,-0.3 328,-0.2 328,-0.2 -0.990 19.4-176.6-158.1 171.6 -14.8 121.0 5.5 17 32 A A E -G 343 0B 17 326,-2.0 326,-2.8 -2,-0.3 2,-0.1 -0.949 30.3-103.7-167.2 151.4 -11.3 121.8 4.6 18 33 A S - 0 0 46 -2,-0.3 322,-0.1 324,-0.2 324,-0.0 -0.374 41.5 -88.7 -81.3 159.3 -7.8 120.3 4.9 19 34 A N - 0 0 7 13,-0.2 2,-0.3 -2,-0.1 322,-0.3 -0.185 48.6-169.9 -54.3 155.1 -4.9 120.9 7.2 20 35 A R E -L 340 0C 45 320,-2.2 320,-3.0 11,-0.1 2,-0.4 -0.980 18.7-160.1-153.0 143.8 -2.6 123.7 6.0 21 36 A S E -LM 339 30C 32 9,-1.7 9,-1.5 -2,-0.3 2,-0.3 -0.988 26.2-128.7-123.1 132.3 0.9 125.0 7.0 22 37 A Y E - M 0 29C 30 316,-2.6 7,-0.2 -2,-0.4 2,-0.2 -0.629 21.3-115.7 -85.2 143.2 1.8 128.5 5.8 23 38 A S - 0 0 41 5,-2.3 5,-0.1 -2,-0.3 -1,-0.1 -0.530 25.4-119.5 -74.8 143.7 5.1 129.1 4.1 24 39 A A S S+ 0 0 103 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.945 96.4 20.5 -46.0 -68.6 7.5 131.4 6.0 25 40 A D S S+ 0 0 152 2,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.885 118.6 10.9-109.5 139.8 7.8 134.1 3.3 26 41 A G S S- 0 0 48 -2,-0.4 2,-0.4 -3,-0.0 -3,-0.1 -0.212 94.2 -66.2 89.2 174.6 5.2 134.6 0.6 27 42 A K S S+ 0 0 212 -5,-0.1 2,-0.2 -2,-0.1 -3,-0.1 -0.815 78.6 110.3-100.8 142.0 1.8 133.1 0.2 28 43 A G - 0 0 43 -2,-0.4 -5,-2.3 -5,-0.1 2,-0.3 -0.503 43.3-151.9 153.9 135.9 1.7 129.4 -0.4 29 44 A T E -M 22 0C 72 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.804 3.3-146.8-125.6 164.5 0.6 126.5 1.8 30 45 A E E -M 21 0C 141 -9,-1.5 -9,-1.7 -2,-0.3 2,-0.3 -0.978 16.4-171.4-130.9 145.7 1.5 122.8 2.2 31 46 A S - 0 0 73 -2,-0.3 -11,-0.1 -11,-0.2 -13,-0.0 -0.972 16.3-147.6-138.6 152.3 -1.0 120.0 3.2 32 47 A H - 0 0 66 -2,-0.3 -13,-0.2 1,-0.1 3,-0.1 -0.702 57.2 -68.2-107.1 162.7 -0.7 116.3 4.1 33 48 A P - 0 0 98 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.243 63.7-103.6 -53.9 138.1 -3.7 114.0 3.1 34 49 A P - 0 0 64 0, 0.0 -16,-0.1 0, 0.0 25,-0.1 -0.322 31.6-170.2 -66.8 148.6 -6.8 114.9 5.1 35 50 A E + 0 0 25 20,-0.2 20,-1.7 -3,-0.1 2,-0.2 0.232 50.4 99.5-121.8 9.1 -7.7 112.7 8.0 36 51 A D E + B 0 54A 22 18,-0.2 2,-0.3 307,-0.1 18,-0.2 -0.515 42.9 169.7 -88.8 168.0 -11.2 113.9 9.0 37 52 A S E - B 0 53A 23 16,-1.7 16,-3.0 -2,-0.2 2,-0.3 -0.959 8.1-172.9-164.7 172.1 -14.4 112.2 8.0 38 53 A W E - B 0 52A 99 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.950 9.9-147.8-160.4 175.8 -18.1 112.3 8.8 39 54 A L E - B 0 51A 9 12,-2.1 12,-2.7 -2,-0.3 2,-0.2 -0.983 10.2-179.3-159.0 146.2 -21.4 110.7 8.2 40 55 A K E + B 0 50A 24 -2,-0.3 -31,-1.4 10,-0.3 2,-0.3 -0.775 25.6 161.2-146.5 93.5 -25.0 111.8 8.0 41 56 A F E -AB 8 49A 18 8,-3.1 8,-2.8 -2,-0.2 2,-0.5 -0.890 29.2-152.1-122.4 150.9 -27.4 108.9 7.4 42 57 A R E - B 0 48A 68 -35,-2.2 6,-0.2 -2,-0.3 4,-0.1 -0.992 20.2-160.1-119.7 124.8 -31.2 108.4 7.8 43 58 A S - 0 0 10 4,-3.4 4,-0.2 -2,-0.5 31,-0.1 0.033 42.2 -66.0 -85.8-162.2 -32.3 104.8 8.4 44 59 A E S S+ 0 0 122 30,-0.1 30,-0.0 2,-0.1 -2,-0.0 0.972 115.8 30.6 -50.5 -77.3 -35.7 103.1 8.0 45 60 A N S S- 0 0 77 1,-0.2 2,-1.7 3,-0.0 34,-0.0 0.393 123.2 -60.3 -64.7-157.0 -37.7 104.9 10.7 46 61 A N S S+ 0 0 77 -4,-0.1 114,-1.0 2,-0.0 2,-0.5 -0.494 95.6 136.3 -87.9 58.7 -37.2 108.5 11.9 47 62 A C E - C 0 159A 1 -2,-1.7 -4,-3.4 -4,-0.2 2,-0.4 -0.965 31.8-177.9-114.5 120.3 -33.8 107.2 12.8 48 63 A F E -BC 42 158A 14 110,-2.8 110,-3.2 -2,-0.5 2,-0.4 -0.960 11.9-165.5-126.1 142.6 -30.7 109.3 12.1 49 64 A L E +BC 41 157A 2 -8,-2.8 -8,-3.1 -2,-0.4 2,-0.4 -0.985 11.6 172.8-126.1 127.1 -27.0 108.9 12.5 50 65 A Y E +BC 40 156A 1 106,-2.9 106,-2.7 -2,-0.4 2,-0.3 -0.971 4.3 170.1-132.5 149.2 -24.4 111.6 12.3 51 66 A G E -BC 39 155A 0 -12,-2.7 -12,-2.1 -2,-0.4 2,-0.4 -0.993 22.4-160.9-159.6 151.2 -20.7 111.6 13.1 52 67 A V E -BC 38 154A 0 102,-2.3 102,-2.1 -2,-0.3 2,-0.4 -0.997 20.4-167.0-132.5 128.6 -17.5 113.5 12.8 53 68 A F E -BC 37 153A 0 -16,-3.0 -16,-1.7 -2,-0.4 2,-0.6 -0.938 10.8-159.5-123.4 141.9 -14.2 111.7 13.1 54 69 A N E -BC 36 152A 12 98,-2.5 98,-1.9 -2,-0.4 -18,-0.2 -0.921 15.7-173.8-123.1 111.0 -10.7 113.0 13.5 55 70 A G E - C 0 151A 2 -20,-1.7 2,-0.3 -2,-0.6 96,-0.2 -0.483 7.7-170.3 -98.9 169.5 -7.8 110.8 12.6 56 71 A Y E + C 0 150A 14 94,-1.7 94,-1.8 2,-0.2 5,-0.2 -0.970 67.7 33.1-149.6 157.7 -4.0 111.1 13.0 57 72 A D S S- 0 0 78 -2,-0.3 3,-0.2 92,-0.2 -1,-0.1 0.920 131.2 -26.8 62.1 43.1 -1.1 109.0 11.6 58 73 A G S S- 0 0 27 -25,-0.2 92,-0.4 1,-0.1 -2,-0.2 -0.358 70.2-101.4 106.5 168.4 -3.1 108.3 8.3 59 74 A N S > S+ 0 0 60 -2,-0.1 4,-2.2 -4,-0.1 5,-0.2 0.190 90.2 100.3-114.0 13.8 -6.8 108.1 7.6 60 75 A R H > S+ 0 0 129 88,-0.2 4,-2.1 2,-0.2 5,-0.1 0.888 86.9 45.0 -67.4 -39.0 -7.1 104.3 7.5 61 76 A V H > S+ 0 0 0 87,-0.2 4,-3.1 2,-0.2 5,-0.2 0.935 108.7 56.6 -71.6 -39.9 -8.5 104.2 11.0 62 77 A T H > S+ 0 0 0 88,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.937 113.8 40.5 -53.3 -52.2 -10.9 107.2 10.3 63 78 A N H X S+ 0 0 71 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.853 112.4 54.4 -69.3 -33.9 -12.4 105.3 7.4 64 79 A F H X S+ 0 0 57 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.973 112.0 45.5 -62.6 -51.0 -12.4 101.9 9.2 65 80 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.912 111.9 49.9 -57.8 -47.6 -14.4 103.5 12.1 66 81 A A H X S+ 0 0 8 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.928 116.1 43.3 -58.1 -45.6 -16.9 105.3 9.9 67 82 A Q H X S+ 0 0 55 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.915 118.0 42.4 -68.2 -43.3 -17.6 102.2 7.9 68 83 A R H X S+ 0 0 82 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.883 109.8 54.7 -76.6 -37.3 -17.9 99.8 10.8 69 84 A L H X S+ 0 0 3 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.883 108.9 52.0 -61.7 -36.5 -19.9 102.0 13.1 70 85 A S H >X S+ 0 0 1 -4,-1.3 4,-2.6 -5,-0.3 3,-1.0 0.928 108.9 49.5 -64.1 -44.3 -22.4 102.2 10.2 71 86 A A H 3< S+ 0 0 19 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.830 111.2 49.6 -64.5 -32.4 -22.5 98.5 10.0 72 87 A E H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.491 124.8 25.3 -85.5 -5.2 -23.1 98.1 13.7 73 88 A L H <<>S+ 0 0 1 -3,-1.0 5,-0.8 -4,-0.6 3,-0.4 0.667 117.1 47.9-128.6 -29.7 -25.9 100.6 13.9 74 89 A L T <5S+ 0 0 5 -4,-2.6 -3,-0.1 -5,-0.2 -30,-0.1 0.169 93.2 76.8-103.7 17.8 -27.8 101.1 10.6 75 90 A L T 5S- 0 0 107 -4,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 -0.047 126.9 -66.8-117.7 31.3 -28.3 97.5 9.8 76 91 A G T 5S+ 0 0 50 -3,-0.4 -2,-0.1 2,-0.1 -4,-0.1 -0.082 107.7 106.0 114.8 -33.4 -31.2 96.8 12.3 77 92 A Q T 5S+ 0 0 63 13,-0.0 2,-0.6 2,-0.0 -3,-0.1 0.704 72.8 67.6 -52.3 -27.2 -29.5 97.2 15.7 78 93 A L < - 0 0 7 -5,-0.8 2,-0.4 12,-0.1 -2,-0.1 -0.858 68.9-174.5-100.2 124.4 -31.1 100.6 16.3 79 94 A N > - 0 0 59 -2,-0.6 3,-1.3 1,-0.1 8,-0.1 -0.965 29.7-137.8-124.3 140.5 -34.9 100.5 16.8 80 95 A A T 3 S+ 0 0 19 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.913 105.4 53.4 -54.3 -47.3 -37.4 103.4 17.1 81 96 A E T 3 S+ 0 0 165 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.058 84.7 122.3 -82.2 33.7 -39.2 101.7 19.9 82 97 A H < - 0 0 55 -3,-1.3 2,-0.1 -2,-0.4 -4,-0.0 -0.750 62.1-120.4 -98.4 148.5 -36.1 101.1 22.0 83 98 A A >> - 0 0 54 -2,-0.3 4,-2.1 1,-0.1 3,-0.7 -0.378 29.9-106.3 -78.9 163.4 -35.8 102.4 25.5 84 99 A E H 3> S+ 0 0 95 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.893 122.2 55.9 -57.1 -41.8 -33.0 104.8 26.4 85 100 A A H 3> S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.831 106.7 51.0 -60.5 -32.4 -31.1 102.0 28.2 86 101 A D H <> S+ 0 0 43 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.933 109.2 49.2 -69.4 -47.6 -31.3 100.0 25.0 87 102 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.880 109.4 52.4 -61.2 -37.9 -29.8 102.8 22.9 88 103 A R H X S+ 0 0 142 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.950 112.2 46.3 -62.9 -46.2 -27.0 103.3 25.4 89 104 A R H X S+ 0 0 111 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.907 110.7 52.0 -62.9 -44.5 -26.2 99.6 25.2 90 105 A V H X S+ 0 0 12 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.904 112.7 44.7 -61.3 -41.0 -26.3 99.5 21.4 91 106 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.906 112.4 52.3 -67.6 -43.3 -23.9 102.4 21.1 92 107 A L H X S+ 0 0 41 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.897 112.8 44.7 -60.5 -40.7 -21.6 101.0 23.7 93 108 A Q H X S+ 0 0 102 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.887 108.6 57.1 -72.0 -39.5 -21.5 97.7 21.9 94 109 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.926 110.8 43.1 -59.1 -44.0 -21.0 99.3 18.5 95 110 A F H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.892 112.9 52.4 -71.3 -35.5 -17.9 101.1 19.8 96 111 A D H X S+ 0 0 82 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.919 112.0 45.9 -64.9 -41.6 -16.5 98.0 21.5 97 112 A V H X S+ 0 0 40 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.899 111.6 52.6 -66.8 -40.5 -16.9 96.0 18.3 98 113 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.959 112.9 43.9 -62.9 -46.4 -15.3 98.7 16.3 99 114 A E H X S+ 0 0 18 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.959 117.0 44.3 -64.6 -49.4 -12.3 98.9 18.6 100 115 A R H X S+ 0 0 169 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 114.2 48.9 -62.9 -39.5 -11.8 95.1 18.9 101 116 A S H X S+ 0 0 26 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.841 108.6 54.2 -73.3 -28.2 -12.3 94.3 15.3 102 117 A F H X S+ 0 0 8 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.937 110.0 46.1 -67.5 -45.2 -9.8 97.1 14.3 103 118 A L H >X S+ 0 0 12 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.878 112.0 51.7 -64.9 -35.0 -7.1 95.6 16.5 104 119 A E H >< S+ 0 0 130 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.895 102.7 62.1 -68.5 -32.7 -7.9 92.1 15.1 105 120 A S H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.706 108.7 39.4 -67.1 -20.5 -7.5 93.5 11.6 106 121 A I H S+ 0 0 133 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.931 112.4 50.5 -60.3 -49.9 -1.1 89.6 11.2 109 124 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 107.6 54.7 -59.4 -33.8 0.7 92.6 10.0 110 125 A L H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.909 110.6 46.0 -66.4 -38.2 2.0 93.2 13.5 111 126 A A H X S+ 0 0 64 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.895 112.0 49.5 -70.0 -42.0 3.4 89.7 13.5 112 127 A E H X S+ 0 0 72 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.897 109.5 54.0 -63.9 -37.0 5.0 90.1 10.1 113 128 A K H X S+ 0 0 32 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.940 107.9 49.1 -61.0 -47.2 6.4 93.4 11.3 114 129 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.913 111.1 49.8 -60.2 -42.1 8.1 91.7 14.3 115 130 A S H X S+ 0 0 61 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.923 111.8 47.5 -66.1 -40.8 9.5 89.0 12.1 116 131 A L H >X S+ 0 0 17 -4,-2.6 4,-0.5 1,-0.2 3,-0.5 0.900 109.9 53.5 -67.1 -38.2 11.0 91.6 9.6 117 132 A Q H >< S+ 0 0 101 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.870 102.9 57.1 -63.5 -34.9 12.4 93.6 12.5 118 133 A S H 3< S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.807 107.5 49.6 -65.2 -28.5 14.2 90.5 13.8 119 134 A Q H << S+ 0 0 92 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.537 98.9 85.0 -86.0 -6.2 15.9 90.2 10.3 120 135 A L S << S- 0 0 35 -3,-1.0 2,-0.4 -4,-0.5 13,-0.0 -0.848 82.5-122.0-106.8 129.1 17.0 93.8 10.3 121 136 A P > - 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