==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-07 2QRK . COMPND 2 MOLECULE: SACCHAROPINE DEHYDROGENASE [NAD+, L-LYSINE- . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.ANDI,H.XU,P.F.COOK,A.H.WEST . 365 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 1 0 1 0 1 1 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 5 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 3 A A 0 0 109 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 137.7 16.3 15.8 -22.5 2 4 A V - 0 0 11 67,-0.0 31,-2.4 68,-0.0 2,-0.5 -0.745 360.0-147.2 -93.0 140.7 16.0 12.7 -20.3 3 5 A T E -a 33 0A 27 65,-0.4 67,-2.9 -2,-0.3 2,-0.4 -0.953 12.9-168.2-108.4 124.5 12.7 11.5 -19.0 4 6 A L E -ab 34 70A 0 29,-2.5 31,-3.1 -2,-0.5 2,-0.5 -0.874 5.2-161.2-109.8 145.2 12.5 9.9 -15.6 5 7 A H E -ab 35 71A 0 65,-2.6 67,-2.5 -2,-0.4 2,-0.8 -0.954 8.7-150.4-130.5 109.0 9.4 8.0 -14.4 6 8 A L E -ab 36 72A 9 29,-2.8 31,-2.6 -2,-0.5 67,-0.2 -0.706 18.6-149.3 -84.2 108.3 9.1 7.4 -10.6 7 9 A R - 0 0 13 65,-2.0 2,-0.3 -2,-0.8 67,-0.2 -0.510 18.6-108.0 -79.5 147.7 7.1 4.2 -10.1 8 10 A A - 0 0 9 -2,-0.2 52,-0.1 50,-0.1 2,-0.1 -0.541 35.6-118.2 -68.5 132.2 4.9 3.7 -7.0 9 11 A E - 0 0 9 -2,-0.3 32,-0.4 7,-0.2 33,-0.1 -0.418 27.7-176.8 -68.0 148.3 6.3 1.2 -4.5 10 12 A T + 0 0 89 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.462 44.4 114.7-121.3 -16.3 4.2 -2.0 -3.9 11 13 A K S > S- 0 0 37 1,-0.1 3,-2.0 65,-0.1 64,-0.0 -0.405 85.3 -86.8 -62.9 134.1 6.3 -3.7 -1.2 12 14 A P T 3 S- 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.176 105.5 -6.0 -46.5 124.9 4.3 -3.8 2.1 13 15 A L T 3 S+ 0 0 163 1,-0.2 2,-0.9 -3,-0.1 -2,-0.1 0.653 85.8 149.3 67.4 20.6 4.8 -0.6 4.2 14 16 A E < + 0 0 9 -3,-2.0 -1,-0.2 1,-0.2 -5,-0.1 -0.796 9.0 162.2 -89.7 108.4 7.4 0.9 1.9 15 17 A A + 0 0 21 -2,-0.9 28,-2.6 27,-0.1 29,-0.3 0.345 39.9 99.2-107.0 -0.8 6.9 4.7 2.3 16 18 A R - 0 0 25 26,-0.2 2,-0.3 27,-0.1 -7,-0.2 -0.346 56.6-151.0 -81.7 171.0 10.2 5.9 1.0 17 19 A A - 0 0 7 307,-0.4 315,-0.2 308,-0.1 314,-0.1 -0.998 19.6-138.1-147.2 142.0 10.8 7.3 -2.5 18 20 A A S S+ 0 0 0 -2,-0.3 2,-0.4 1,-0.1 317,-0.1 0.766 99.0 34.8 -71.9 -30.4 13.8 7.3 -4.8 19 21 A L S S- 0 0 0 53,-0.1 -1,-0.1 -3,-0.0 310,-0.1 -0.985 77.2-157.9-119.2 137.6 13.0 10.9 -6.0 20 22 A T > - 0 0 0 -2,-0.4 4,-2.9 308,-0.1 5,-0.2 -0.651 37.4-100.6-104.4 166.7 11.5 13.4 -3.6 21 23 A P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.896 125.4 52.9 -51.4 -39.4 9.5 16.6 -4.6 22 24 A T H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.930 110.7 42.5 -63.6 -47.1 12.8 18.5 -3.9 23 25 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 113.1 55.3 -71.9 -31.1 15.0 16.4 -6.1 24 26 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.947 107.8 48.7 -59.2 -51.9 12.3 16.4 -8.8 25 27 A K H X S+ 0 0 141 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.933 111.9 50.0 -53.0 -44.2 12.3 20.2 -8.8 26 28 A K H X S+ 0 0 90 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.889 111.0 47.7 -67.0 -40.1 16.0 20.2 -9.1 27 29 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-0.8 0.902 110.1 52.8 -66.3 -44.1 16.0 17.8 -12.0 28 30 A I H ><5S+ 0 0 53 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.885 102.1 58.9 -56.9 -39.5 13.3 19.8 -13.8 29 31 A A H 3<5S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.2 52.2 -63.6 -22.7 15.5 22.9 -13.3 30 32 A K T <<5S- 0 0 134 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.256 129.1 -96.6 -93.5 7.3 18.1 21.0 -15.4 31 33 A G T < 5S+ 0 0 40 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.506 73.4 146.1 93.0 5.5 15.6 20.2 -18.2 32 34 A F < - 0 0 12 -5,-2.0 2,-0.6 -31,-0.1 -1,-0.3 -0.374 46.4-133.7 -69.5 150.7 14.5 16.7 -17.2 33 35 A K E -a 3 0A 120 -31,-2.4 -29,-2.5 -2,-0.1 2,-0.5 -0.958 28.3-162.9-101.3 124.1 11.0 15.6 -17.9 34 36 A I E -a 4 0A 3 -2,-0.6 21,-2.7 19,-0.3 2,-0.4 -0.944 13.9-172.3-119.4 121.8 9.7 13.9 -14.7 35 37 A Y E -ac 5 55A 52 -31,-3.1 -29,-2.8 -2,-0.5 2,-0.4 -0.882 9.0-165.8-100.6 141.1 6.6 11.6 -14.4 36 38 A V E -ac 6 56A 0 19,-2.5 21,-2.0 -2,-0.4 2,-0.2 -0.989 16.2-132.5-131.6 123.6 5.5 10.6 -10.9 37 39 A E E - c 0 57A 4 -31,-2.6 2,-1.2 -2,-0.4 22,-0.1 -0.501 28.7-112.3 -70.9 136.6 3.1 7.7 -10.2 38 40 A D - 0 0 84 19,-2.6 21,-0.4 -2,-0.2 -1,-0.1 -0.622 45.0-161.8 -68.7 98.8 0.3 8.6 -7.7 39 41 A S - 0 0 23 -2,-1.2 3,-0.4 1,-0.2 7,-0.1 -0.751 22.9-160.8 -98.6 125.2 1.5 6.3 -4.9 40 42 A P S S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -30,-0.1 0.972 91.8 44.1 -62.4 -45.7 -0.8 5.2 -2.1 41 43 A Q S S+ 0 0 59 -32,-0.4 -31,-0.1 -27,-0.1 2,-0.0 0.582 84.2 115.8 -84.6 -5.4 2.0 4.2 0.2 42 44 A S - 0 0 24 -3,-0.4 -26,-0.2 1,-0.1 -27,-0.1 -0.293 62.7-139.6 -71.2 142.6 4.4 7.1 -0.2 43 45 A T S S+ 0 0 38 -28,-2.6 2,-0.4 2,-0.1 -1,-0.1 0.655 85.7 83.5 -67.2 -16.2 5.2 9.4 2.7 44 46 A F S S- 0 0 9 -29,-0.3 2,-0.3 281,-0.0 -5,-0.1 -0.764 84.3-124.8 -93.0 135.6 5.1 12.3 0.2 45 47 A N >> - 0 0 86 -2,-0.4 3,-1.5 1,-0.1 4,-0.9 -0.578 18.8-127.3 -75.3 139.0 1.8 13.8 -0.7 46 48 A I H 3> S+ 0 0 29 1,-0.3 4,-2.2 -2,-0.3 3,-0.3 0.829 107.4 66.3 -61.7 -28.8 1.2 13.8 -4.5 47 49 A N H 3> S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.817 94.1 60.2 -58.1 -34.6 0.5 17.6 -4.4 48 50 A E H <> S+ 0 0 55 -3,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.927 107.5 43.7 -57.6 -46.3 4.1 18.1 -3.4 49 51 A Y H X>S+ 0 0 6 -4,-0.9 5,-2.4 -3,-0.3 4,-0.5 0.906 112.8 52.5 -66.7 -42.5 5.3 16.5 -6.7 50 52 A R H ><5S+ 0 0 168 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.937 108.4 49.7 -57.0 -50.2 2.7 18.4 -8.7 51 53 A Q H 3<5S+ 0 0 178 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 106.1 57.9 -63.0 -25.8 3.8 21.7 -7.3 52 54 A A H 3<5S- 0 0 15 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.573 127.3 -98.4 -75.6 -15.4 7.4 20.8 -8.2 53 55 A G T <<5S+ 0 0 43 -3,-1.7 -19,-0.3 -4,-0.5 -3,-0.2 0.449 71.1 150.1 108.1 6.1 6.4 20.3 -11.9 54 56 A A < - 0 0 11 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.3 -0.389 48.2-126.4 -69.7 147.2 6.0 16.5 -12.1 55 57 A I E -c 35 0A 79 -21,-2.7 -19,-2.5 -2,-0.1 2,-0.4 -0.861 30.0-137.2 -90.6 115.1 3.5 15.0 -14.5 56 58 A I E +c 36 0A 52 -2,-0.7 -19,-0.2 -21,-0.2 -21,-0.0 -0.635 29.8 171.2 -81.9 132.8 1.3 12.8 -12.4 57 59 A V E -c 37 0A 26 -21,-2.0 -19,-2.6 -2,-0.4 3,-0.1 -0.874 37.2 -77.6-134.6 162.6 0.3 9.4 -13.8 58 60 A P > - 0 0 89 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.262 51.6 -96.3 -63.7 147.9 -1.4 6.2 -12.4 59 61 A A T 3 S+ 0 0 56 -21,-0.4 -52,-0.1 1,-0.2 -20,-0.1 -0.400 113.4 21.2 -56.7 135.5 0.3 3.7 -10.2 60 62 A G T > S+ 0 0 31 -52,-0.1 3,-1.7 -3,-0.1 -1,-0.2 0.337 85.7 120.9 84.1 -5.2 1.6 0.8 -12.3 61 63 A S G X + 0 0 21 -3,-1.9 3,-1.7 1,-0.3 4,-0.3 0.664 54.6 78.9 -68.6 -18.5 1.6 2.9 -15.5 62 64 A W G > S+ 0 0 14 1,-0.3 3,-1.2 -4,-0.2 -1,-0.3 0.826 81.4 70.7 -52.5 -30.4 5.4 2.4 -15.9 63 65 A K G < S+ 0 0 101 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.698 111.3 26.7 -66.8 -19.9 4.4 -1.0 -17.3 64 66 A T G < S+ 0 0 127 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.194 94.8 127.7-123.2 14.1 3.0 0.5 -20.5 65 67 A A S < S- 0 0 13 -3,-1.2 -3,-0.1 -4,-0.3 -60,-0.0 -0.329 72.1 -80.4 -75.3 153.3 5.1 3.6 -20.6 66 68 A P > - 0 0 76 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.201 41.6-114.7 -54.9 146.9 7.0 4.6 -23.7 67 69 A R T 3 S+ 0 0 150 1,-0.3 21,-0.4 -3,-0.1 -2,-0.1 0.678 109.1 63.5 -58.1 -25.0 10.3 2.8 -24.2 68 70 A D T 3 S+ 0 0 133 19,-0.1 -65,-0.4 2,-0.1 -1,-0.3 0.657 77.6 99.7 -84.3 -11.5 12.4 6.0 -23.7 69 71 A R S < S- 0 0 38 -3,-2.0 2,-0.6 -67,-0.1 19,-0.5 -0.510 71.5-133.4 -72.7 137.0 11.4 6.7 -20.1 70 72 A I E -b 4 0A 0 -67,-2.9 -65,-2.6 -2,-0.2 2,-0.6 -0.829 21.5-139.9 -88.0 123.9 13.9 5.7 -17.5 71 73 A I E -bd 5 89A 0 17,-2.6 19,-2.6 -2,-0.6 2,-0.4 -0.767 21.9-172.7 -90.9 123.8 12.0 3.9 -14.7 72 74 A I E +bd 6 90A 0 -67,-2.5 -65,-2.0 -2,-0.6 2,-0.3 -0.940 18.9 134.8-122.9 129.9 13.2 4.7 -11.2 73 75 A G - 0 0 0 17,-2.5 -65,-0.1 -2,-0.4 -56,-0.1 -0.916 46.5-124.0-153.4 176.3 12.1 3.0 -7.9 74 76 A L S S+ 0 0 3 -2,-0.3 18,-2.9 -67,-0.2 -1,-0.1 0.893 78.5 62.2 -90.8 -60.4 13.7 1.7 -4.7 75 77 A K S S- 0 0 58 16,-0.2 18,-0.1 1,-0.1 -2,-0.0 -0.120 84.8 -95.8 -79.2 164.1 12.6 -1.9 -4.2 76 78 A E - 0 0 54 1,-0.1 17,-0.2 15,-0.1 -1,-0.1 -0.224 51.3 -88.6 -64.7 161.9 13.1 -5.1 -6.3 77 79 A M - 0 0 15 16,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.459 53.1 -89.9 -71.5 145.8 10.4 -6.3 -8.7 78 80 A P > - 0 0 30 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.400 32.9-132.3 -55.6 129.2 7.7 -8.6 -7.3 79 81 A E T 3 S+ 0 0 192 1,-0.3 -2,-0.1 -2,-0.1 25,-0.0 0.775 106.1 62.7 -59.4 -26.9 9.1 -12.1 -7.8 80 82 A T T 3 S+ 0 0 103 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.752 78.6 95.5 -63.3 -38.6 5.7 -12.9 -9.3 81 83 A D < + 0 0 29 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.446 44.7 170.2 -59.6 127.3 6.0 -10.5 -12.2 82 84 A T + 0 0 107 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.536 32.2 115.8-118.1 -9.7 7.2 -12.4 -15.3 83 85 A F S S- 0 0 67 1,-0.1 29,-0.1 28,-0.0 28,-0.0 -0.269 76.0 -94.6 -66.8 145.4 6.8 -10.0 -18.2 84 86 A P - 0 0 52 0, 0.0 2,-0.7 0, 0.0 25,-0.2 -0.295 33.2-127.8 -59.0 144.4 10.0 -8.8 -20.0 85 87 A L + 0 0 2 23,-2.0 29,-0.9 1,-0.1 27,-0.2 -0.879 30.9 173.5 -96.3 109.9 11.4 -5.5 -18.8 86 88 A V + 0 0 59 -2,-0.7 -1,-0.1 27,-0.1 2,-0.1 0.600 50.1 78.3 -93.9 -17.2 11.9 -3.3 -21.8 87 89 A H S S- 0 0 6 27,-0.1 28,-1.4 1,-0.0 2,-0.5 -0.445 86.9-102.6 -87.9 164.3 13.0 -0.0 -20.1 88 90 A E E - e 0 115A 37 -19,-0.5 -17,-2.6 -21,-0.4 2,-0.4 -0.797 50.1-161.3 -74.3 126.4 16.2 1.2 -18.5 89 91 A H E -de 71 116A 0 26,-3.1 28,-3.0 -2,-0.5 2,-0.5 -0.932 22.3-161.7-118.9 142.0 15.6 0.8 -14.8 90 92 A I E +de 72 117A 0 -19,-2.6 -17,-2.5 -2,-0.4 2,-0.3 -0.993 47.0 108.3-117.3 119.9 17.2 2.3 -11.7 91 93 A Q E S- e 0 118A 0 26,-1.1 28,-2.2 -2,-0.5 2,-0.9 -0.965 78.4 -86.5-171.9 165.9 16.4 0.3 -8.6 92 94 A F + 0 0 34 -18,-2.9 26,-0.1 -2,-0.3 -2,-0.1 -0.866 47.5 176.7 -84.1 101.3 17.8 -2.1 -6.0 93 95 A A - 0 0 4 -2,-0.9 -16,-0.2 -17,-0.2 -1,-0.1 0.643 24.5-146.6 -87.9 -15.9 17.1 -5.3 -8.0 94 96 A H + 0 0 69 1,-0.1 11,-0.1 -3,-0.1 -2,-0.1 0.894 65.6 109.9 50.1 51.5 18.7 -7.8 -5.5 95 97 A C + 0 0 0 3,-0.1 3,-0.3 10,-0.1 11,-0.1 0.188 52.9 75.3-135.1 14.8 19.9 -10.1 -8.3 96 98 A Y S S+ 0 0 14 1,-0.2 -2,-0.0 2,-0.1 22,-0.0 0.555 88.0 58.4-104.6 -13.2 23.7 -9.7 -8.2 97 99 A K S S- 0 0 121 5,-0.0 -1,-0.2 0, 0.0 5,-0.0 -0.215 120.2 -94.1-113.6 39.1 24.5 -11.7 -5.0 98 100 A D + 0 0 98 -3,-0.3 3,-0.1 1,-0.1 -3,-0.1 0.746 63.7 172.9 53.9 31.4 23.0 -15.1 -6.1 99 101 A Q > - 0 0 48 1,-0.2 3,-1.9 2,-0.1 4,-0.2 -0.258 50.1 -73.8 -57.4 153.2 19.6 -14.4 -4.5 100 102 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.314 121.1 8.7 -55.4 128.2 16.9 -17.0 -5.3 101 103 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.2 3,-0.1 3,-0.3 0.645 81.3 142.7 73.3 19.1 15.7 -16.6 -8.9 102 104 A W H <> S+ 0 0 34 -3,-1.9 4,-2.0 1,-0.2 5,-0.1 0.853 70.8 54.1 -56.6 -36.6 18.4 -14.0 -9.8 103 105 A Q H > S+ 0 0 70 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 107.4 50.1 -67.9 -38.0 18.8 -15.5 -13.3 104 106 A N H > S+ 0 0 117 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.911 107.1 54.1 -68.2 -42.1 15.0 -15.1 -13.9 105 107 A V H X S+ 0 0 38 -4,-2.2 4,-1.0 1,-0.2 3,-0.2 0.930 113.7 43.5 -50.1 -49.6 15.2 -11.4 -12.8 106 108 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.3 0.877 106.2 60.2 -69.0 -37.6 17.9 -10.9 -15.3 107 109 A M H X S+ 0 0 65 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.835 98.5 59.8 -58.6 -33.3 16.1 -12.9 -18.1 108 110 A R H X S+ 0 0 19 -4,-1.7 -23,-2.0 -3,-0.2 4,-1.8 0.933 110.2 41.5 -59.5 -44.6 13.3 -10.4 -17.8 109 111 A F H X>S+ 0 0 0 -4,-1.0 5,-1.8 -3,-0.3 4,-1.5 0.938 115.3 50.1 -64.8 -48.6 15.8 -7.7 -18.8 110 112 A I H ><5S+ 0 0 66 -4,-2.8 3,-0.7 2,-0.2 -2,-0.2 0.944 113.8 44.3 -54.1 -54.8 17.5 -9.9 -21.5 111 113 A K H 3<5S+ 0 0 119 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.4 47.3 -57.9 -42.4 14.1 -10.8 -23.1 112 114 A G H 3<5S- 0 0 9 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.680 102.5-128.0 -70.4 -20.6 13.0 -7.2 -22.8 113 115 A H T <<5 + 0 0 147 -4,-1.5 -3,-0.2 -3,-0.7 -27,-0.1 0.674 65.2 142.8 66.5 22.0 16.2 -5.6 -24.2 114 116 A G < - 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